2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid

C16H14ClNO3 — CID 12039666

IUPAC2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
SMILESCN(C(=O)c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-18(15(19)12-7-9-13(17)10-8-12)14(16(20)21)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,20,21)
InChIKeyZDGDSTBUHJZINL-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.24
Rot. Bonds4

About 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid

2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid (PubChem CID 12039666) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
PubChem CID12039666
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
SMILESCN(C(=O)c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-18(15(19)12-7-9-13(17)10-8-12)14(16(20)21)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,20,21)
InChIKeyZDGDSTBUHJZINL-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-phenylacetic acid
CID 54255090
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
2-[(4-methoxybenzoyl)-methylamino]-2-(3-nitrophenyl)acetic acid
CID 50901821
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid (CID 12039666) is 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid is CN(C(=O)c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid?
The InChIKey is ZDGDSTBUHJZINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-18(15(19)12-7-9-13(17)10-8-12)14(16(20)21)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid?
2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid is sourced from PubChem (CID 12039666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).