4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane

C83H83BBr3Cl5F12N8O11 — CID 158068345

IUPAC4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane
SMILESBrB(Br)Br.C.C.C.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1.COc1cccc(CCN)c1.COc1cccc(CCNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(NCCc1cccc(O)c1)c1ccc(Cl)c(C(F)(F)F)c1.O=C(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H19ClF3N3O3.C17H15ClF3NO2.C16H13ClF3NO2.C9H13NO.C8H4ClF3O2.C7H7ClN2O.3CH4.BBr3/c1-28-22(32)20-13-17(8-10-29-20)33-16-4-2-3-14(11-16)7-9-30-21(31)15-5-6-19(24)18(12-15)23(25,26)27;1-24-13-4-2-3-11(9-13)7-8-22-16(23)12-5-6-15(18)14(10-12)17(19,20)21;17-14-5-4-11(9-13(14)16(18,19)20)15(23)21-7-6-10-2-1-3-12(22)8-10;1-11-9-4-2-3-8(7-9)5-6-10;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;1-9-7(11)6-4-5(8)2-3-10-6;;;;2-1(3)4/h2-6,8,10-13H,7,9H2,1H3,(H,28,32)(H,30,31);2-6,9-10H,7-8H2,1H3,(H,22,23);1-5,8-9,22H,6-7H2,(H,21,23);2-4,7H,5-6,10H2,1H3;1-3H,(H,13,14);2-4H,1H3,(H,9,11);3*1H4;
InChIKeyFLMXJLRXCFMZGE-UHFFFAOYSA-N
MW2024.39 g/mol
LogP22.67
Rot. Bonds21

About 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane

4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane (PubChem CID 158068345) has the molecular formula C83H83BBr3Cl5F12N8O11 and a molecular weight of 2024.39 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane.

Molecular Properties

Compound Name4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane
PubChem CID158068345
Molecular FormulaC83H83BBr3Cl5F12N8O11
Molecular Weight2024.39 g/mol
Exact Mass2018.21
IUPAC Name4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane
SMILESBrB(Br)Br.C.C.C.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1.COc1cccc(CCN)c1.COc1cccc(CCNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(NCCc1cccc(O)c1)c1ccc(Cl)c(C(F)(F)F)c1.O=C(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H19ClF3N3O3.C17H15ClF3NO2.C16H13ClF3NO2.C9H13NO.C8H4ClF3O2.C7H7ClN2O.3CH4.BBr3/c1-28-22(32)20-13-17(8-10-29-20)33-16-4-2-3-14(11-16)7-9-30-21(31)15-5-6-19(24)18(12-15)23(25,26)27;1-24-13-4-2-3-11(9-13)7-8-22-16(23)12-5-6-15(18)14(10-12)17(19,20)21;17-14-5-4-11(9-13(14)16(18,19)20)15(23)21-7-6-10-2-1-3-12(22)8-10;1-11-9-4-2-3-8(7-9)5-6-10;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;1-9-7(11)6-4-5(8)2-3-10-6;;;;2-1(3)4/h2-6,8,10-13H,7,9H2,1H3,(H,28,32)(H,30,31);2-6,9-10H,7-8H2,1H3,(H,22,23);1-5,8-9,22H,6-7H2,(H,21,23);2-4,7H,5-6,10H2,1H3;1-3H,(H,13,14);2-4H,1H3,(H,9,11);3*1H4;
InChIKeyFLMXJLRXCFMZGE-UHFFFAOYSA-N
XLogP22.67
TPSA282.52 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.39
LogP ≤ 522.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane with MolForge

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Related Compounds

4-[3-(2-{[4-chloro-3-(trifluoromethyl)benzoyl]amino}-ethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 25050540
4-[[3-[2-[[4-Chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]pyridine-2-carboxamide
CID 90969013
N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;2-[3-[(1S)-1-(5-chloro-2-pyridinyl)-1-[[3-(1,1-difluoroethyl)-4-fluorobenzoyl]amino]-2-phenylethyl]-5-fluorophenoxy]acetic acid;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-hydroxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-methoxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123365881
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123655255
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-hydroxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 123839669
6-[4-[(2S)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]hexanoic acid;3-[4-[(2S)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]propanoic acid;(E)-3-[4-[(2S)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]prop-2-enoic acid
CID 123897338
4-[3-[2-[[4-Chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 143640158
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropanoic acid;N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 157053801
CID 157136463
CID 157136463
4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide
CID 157197918
dicesium;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;4-[4-[4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-hydroxyphenyl)butanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)butanamide;hydride;4-(4-methoxyphenyl)butanoic acid;oxido formate;tribromoborane
CID 157362196
4-chloro-N-[2-[3-[(2-cyano-4-pyridinyl)oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloropyridine-2-carbonitrile;ethane-1,2-diamine;methane
CID 157591913

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane?
The IUPAC name of 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane (CID 158068345) is 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane.
What is the SMILES notation for 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane?
The canonical SMILES for 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane is BrB(Br)Br.C.C.C.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1.COc1cccc(CCN)c1.COc1cccc(CCNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(NCCc1cccc(O)c1)c1ccc(Cl)c(C(F)(F)F)c1.O=C(O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane?
The InChIKey is FLMXJLRXCFMZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O3.C17H15ClF3NO2.C16H13ClF3NO2.C9H13NO.C8H4ClF3O2.C7H7ClN2O.3CH4.BBr3/c1-28-22(32)20-13-17(8-10-29-20)33-16-4-2-3-14(11-16)7-9-30-21(31)15-5-6-19(24)18(12-15)23(25,26)27;1-24-13-4-2-3-11(9-13)7-8-22-16(23)12-5-6-15(18)14(10-12)17(19,20)21;17-14-5-4-11(9-13(14)16(18,19)20)15(23)21-7-6-10-2-1-3-12(22)8-10;1-11-9-4-2-3-8(7-9)5-6-10;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;1-9-7(11)6-4-5(8)2-3-10-6;;;;2-1(3)4/h2-6,8,10-13H,7,9H2,1H3,(H,28,32)(H,30,31);2-6,9-10H,7-8H2,1H3,(H,22,23);1-5,8-9,22H,6-7H2,(H,21,23);2-4,7H,5-6,10H2,1H3;1-3H,(H,13,14);2-4H,1H3,(H,9,11);3*1H4;.
What are the key properties of 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane?
4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane has a molecular weight of 2024.39 g/mol, XLogP of 22.67, 21 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-hydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide;4-chloro-N-methylpyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)benzoic acid;4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide;methane;2-(3-methoxyphenyl)ethanamine;tribromoborane is sourced from PubChem (CID 158068345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).