N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide

C22H18ClNO3 — CID 102217695

IUPACN-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccccc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO3/c1-27-19-13-9-15(10-14-19)20(21(25)16-7-11-18(23)12-8-16)24-22(26)17-5-3-2-4-6-17/h2-14,20H,1H3,(H,24,26)/t20-/m0/s1
InChIKeyNPOALXIBEXWKFK-FQEVSTJZSA-N
MW379.84 g/mol
LogP4.70
Rot. Bonds6

About N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide

N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide (PubChem CID 102217695) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
PubChem CID102217695
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC NameN-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccccc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO3/c1-27-19-13-9-15(10-14-19)20(21(25)16-7-11-18(23)12-8-16)24-22(26)17-5-3-2-4-6-17/h2-14,20H,1H3,(H,24,26)/t20-/m0/s1
InChIKeyNPOALXIBEXWKFK-FQEVSTJZSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)-1-[4-(2-phenylethyl)phenyl]ethanone
CID 175404533
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
N-[(1S)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 985155
N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 978963
2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 59486536
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The IUPAC name of N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide (CID 102217695) is N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide is COc1ccc([C@H](NC(=O)c2ccccc2)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The InChIKey is NPOALXIBEXWKFK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-27-19-13-9-15(10-14-19)20(21(25)16-7-11-18(23)12-8-16)24-22(26)17-5-3-2-4-6-17/h2-14,20H,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide has a molecular weight of 379.84 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 102217695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).