2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid

C15H11BrFNO3 — CID 103790488

IUPAC2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrFNO3/c16-11-8-10(6-7-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyPEQAGWNMERXSOZ-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.14
Rot. Bonds4

About 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid

2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 103790488) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
PubChem CID103790488
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrFNO3/c16-11-8-10(6-7-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyPEQAGWNMERXSOZ-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
(2S)-2-[(3-bromo-4-fluorobenzoyl)amino]butanedioic acid
CID 107949396
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3,4-difluorobenzamide
CID 61121577
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid (CID 103790488) is 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is PEQAGWNMERXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c16-11-8-10(6-7-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid?
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 352.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103790488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).