N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C22H18ClF3N2O2 — CID 55890240

IUPACN-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O2/c23-18-8-10-20(11-9-18)28(13-19-3-1-2-12-27-19)21(29)17-6-4-16(5-7-17)14-30-15-22(24,25)26/h1-12H,13-15H2
InChIKeyPIMSILNPFKSITB-UHFFFAOYSA-N
MW434.85 g/mol
LogP5.66
Rot. Bonds7

About N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55890240) has the molecular formula C22H18ClF3N2O2 and a molecular weight of 434.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55890240
Molecular FormulaC22H18ClF3N2O2
Molecular Weight434.85 g/mol
Exact Mass434.10
IUPAC NameN-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O2/c23-18-8-10-20(11-9-18)28(13-19-3-1-2-12-27-19)21(29)17-6-4-16(5-7-17)14-30-15-22(24,25)26/h1-12H,13-15H2
InChIKeyPIMSILNPFKSITB-UHFFFAOYSA-N
XLogP5.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889987
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide
CID 47080763
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55888701
N-(4-chlorophenyl)-5-[(2-methoxyphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 55890626
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 166407045
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016
N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 55889470
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55890240) is N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(c1ccc(COCC(F)(F)F)cc1)N(Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is PIMSILNPFKSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O2/c23-18-8-10-20(11-9-18)28(13-19-3-1-2-12-27-19)21(29)17-6-4-16(5-7-17)14-30-15-22(24,25)26/h1-12H,13-15H2.
What are the key properties of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 434.85 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55890240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).