(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid

C15H11BrClNO3 — CID 107938356

IUPAC(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H11BrClNO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyMUZMWVHNINLQIP-ZDUSSCGKSA-N
MW368.61 g/mol
LogP3.66
Rot. Bonds4

About (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 107938356) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
PubChem CID107938356
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H11BrClNO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyMUZMWVHNINLQIP-ZDUSSCGKSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938931
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
(2R)-2-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107938205
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid (CID 107938356) is (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is MUZMWVHNINLQIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 368.61 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 107938356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).