2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide

C22H17ClF3NO — CID 163353879

IUPAC2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C22H17ClF3NO/c23-20-17(12-7-13-19(20)22(24,25)26)21(28)27-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,27,28)
InChIKeyHYXQSRFAADHARD-UHFFFAOYSA-N
MW403.83 g/mol
LogP5.92
Rot. Bonds5

About 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide

2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 163353879) has the molecular formula C22H17ClF3NO and a molecular weight of 403.83 g/mol. Its IUPAC name is 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
PubChem CID163353879
Molecular FormulaC22H17ClF3NO
Molecular Weight403.83 g/mol
Exact Mass403.10
IUPAC Name2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C22H17ClF3NO/c23-20-17(12-7-13-19(20)22(24,25)26)21(28)27-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,27,28)
InChIKeyHYXQSRFAADHARD-UHFFFAOYSA-N
XLogP5.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.83
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 131701791
2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69279489
2-chloro-N-[(S)-[(2S)-1,1-dimethylpiperidin-1-ium-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69104903
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
2-chloro-N-[2-[2-methylbutyl(prop-2-enyl)amino]-1-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 70271975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide (CID 163353879) is 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide is O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is HYXQSRFAADHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3NO/c23-20-17(12-7-13-19(20)22(24,25)26)21(28)27-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,27,28).
What are the key properties of 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide?
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 403.83 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 163353879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).