N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide

C27H21ClF3N3O2 — CID 58396233

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)ccn1
InChIInChI=1S/C27H21ClF3N3O2/c1-3-20-13-17(10-12-32-20)21-5-4-11-33-26(21)36-24-14-18(7-6-16(24)2)25(35)34-23-15-19(27(29,30)31)8-9-22(23)28/h4-15H,3H2,1-2H3,(H,34,35)
InChIKeyNKMBIRHSJHGIOC-UHFFFAOYSA-N
MW511.93 g/mol
LogP7.73
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide (PubChem CID 58396233) has the molecular formula C27H21ClF3N3O2 and a molecular weight of 511.93 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide
PubChem CID58396233
Molecular FormulaC27H21ClF3N3O2
Molecular Weight511.93 g/mol
Exact Mass511.13
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)ccn1
InChIInChI=1S/C27H21ClF3N3O2/c1-3-20-13-17(10-12-32-20)21-5-4-11-33-26(21)36-24-14-18(7-6-16(24)2)25(35)34-23-15-19(27(29,30)31)8-9-22(23)28/h4-15H,3H2,1-2H3,(H,34,35)
InChIKeyNKMBIRHSJHGIOC-UHFFFAOYSA-N
XLogP7.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.93
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide with MolForge

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Related Compounds

3-Oxybenzamide 29
CID 22052347
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methyl-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396230
3-[3-(8-Chloro-3-methylquinolin-4-yl)phenoxy]-N-ethylbenzamide
CID 44472998
Biarylether amide quinoline, 4k
CID 44472999
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921211
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;hydrochloride
CID 44532595
N-(4-chloro-3-(trifluoromethyl)benzyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363638
4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]benzamide;hydrochloride
CID 44532629
N-(1-(2-chlorophenyl) cyclopropyl)-5H-chromeno [3,4-c]pyridine-8-carboxamide
CID 121363574
N-(4-chlorophenethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363610
(R)-N-(1-(2-chlorophenyl) ethyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363634

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide (CID 58396233) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide is CCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)ccn1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide?
The InChIKey is NKMBIRHSJHGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClF3N3O2/c1-3-20-13-17(10-12-32-20)21-5-4-11-33-26(21)36-24-14-18(7-6-16(24)2)25(35)34-23-15-19(27(29,30)31)8-9-22(23)28/h4-15H,3H2,1-2H3,(H,34,35).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide has a molecular weight of 511.93 g/mol, XLogP of 7.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methylbenzamide is sourced from PubChem (CID 58396233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).