N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide

C88H69Cl7F10N6O13 — CID 167603990

IUPACN-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(F)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Cl)ccc1O
InChIInChI=1S/C15H8ClF6NO2.C15H11ClF3NO2.C15H14ClNO3.C15H14ClNO2.C14H11Cl2NO2.C14H11ClFNO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;1-8-2-4-12(11(6-8)15(17,18)19)20-14(22)10-7-9(16)3-5-13(10)21;1-9-5-11(8-12(6-9)20-2)17-15(19)13-7-10(16)3-4-14(13)18;1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18;1-8-4-10(16)6-11(5-8)17-14(19)12-7-9(15)2-3-13(12)18;1-8-4-10(16)7-11(5-8)17-14(19)12-6-9(15)2-3-13(12)18/h1-6,24H,(H,23,25);2-7,21H,1H3,(H,20,22);3-8,18H,1-2H3,(H,17,19);3-8,18H,1-2H3,(H,17,19);2*2-7,18H,1H3,(H,17,19)
InChIKeyKDAAZUJMUUZSDA-UHFFFAOYSA-N
MW1856.70 g/mol
LogP25.50
Rot. Bonds13

About N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide

N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 167603990) has the molecular formula C88H69Cl7F10N6O13 and a molecular weight of 1856.70 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
PubChem CID167603990
Molecular FormulaC88H69Cl7F10N6O13
Molecular Weight1856.70 g/mol
Exact Mass1852.26
IUPAC NameN-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(F)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Cl)ccc1O
InChIInChI=1S/C15H8ClF6NO2.C15H11ClF3NO2.C15H14ClNO3.C15H14ClNO2.C14H11Cl2NO2.C14H11ClFNO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;1-8-2-4-12(11(6-8)15(17,18)19)20-14(22)10-7-9(16)3-5-13(10)21;1-9-5-11(8-12(6-9)20-2)17-15(19)13-7-10(16)3-4-14(13)18;1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18;1-8-4-10(16)6-11(5-8)17-14(19)12-7-9(15)2-3-13(12)18;1-8-4-10(16)7-11(5-8)17-14(19)12-6-9(15)2-3-13(12)18/h1-6,24H,(H,23,25);2-7,21H,1H3,(H,20,22);3-8,18H,1-2H3,(H,17,19);3-8,18H,1-2H3,(H,17,19);2*2-7,18H,1H3,(H,17,19)
InChIKeyKDAAZUJMUUZSDA-UHFFFAOYSA-N
XLogP25.50
TPSA305.21 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001856.70
LogP ≤ 525.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

5-chloro-2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;5-chloro-N-phenyl-2-(trifluoromethoxy)benzamide;2-hydroxy-3,5-diiodo-N-(4-iodophenyl)benzamide
CID 88306154
5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 158629509
N-(3-chlorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;4-fluoro-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;N-(3-fluorophenyl)-4-methyl-3-(propan-2-ylamino)benzamide;bis(N-(3-methoxyphenyl)-4-methyl-3-(propan-2-ylamino)benzamide);4-methyl-N-(3-methylphenyl)-3-(propan-2-ylamino)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)benzamide
CID 159369978
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide
CID 160671674
5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
CID 162720867
3,5-dichloro-2-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2-hydroxy-5-iodo-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2-hydroxy-5-methoxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2-hydroxy-5-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-phenylbenzamide;2-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 167579137
5-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2-methoxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-fluoro-2-hydroxybenzamide;methane
CID 157695101
5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide
CID 158708901
3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;N-ethyl-N,3-dimethyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide
CID 159765125
N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluorophenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide
CID 161265617
3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;methane;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;N,N,3-trimethyl-5-(methylamino)benzamide
CID 161751882

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide (CID 167603990) is N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide is COc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(Cl)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cc(F)cc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Cl)ccc1O.
What is the InChIKey of N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KDAAZUJMUUZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6NO2.C15H11ClF3NO2.C15H14ClNO3.C15H14ClNO2.C14H11Cl2NO2.C14H11ClFNO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22;1-8-2-4-12(11(6-8)15(17,18)19)20-14(22)10-7-9(16)3-5-13(10)21;1-9-5-11(8-12(6-9)20-2)17-15(19)13-7-10(16)3-4-14(13)18;1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18;1-8-4-10(16)6-11(5-8)17-14(19)12-7-9(15)2-3-13(12)18;1-8-4-10(16)7-11(5-8)17-14(19)12-6-9(15)2-3-13(12)18/h1-6,24H,(H,23,25);2-7,21H,1H3,(H,20,22);3-8,18H,1-2H3,(H,17,19);3-8,18H,1-2H3,(H,17,19);2*2-7,18H,1H3,(H,17,19).
What are the key properties of N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide?
N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1856.70 g/mol, XLogP of 25.50, 13 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167603990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).