2-[(4-bromobenzoyl)amino]-2-phenylacetic acid

C15H12BrNO3 — CID 16776362

IUPAC2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)
InChIKeyGNWWSJURZCWCCO-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.00
Rot. Bonds4

About 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid

2-[(4-bromobenzoyl)amino]-2-phenylacetic acid (PubChem CID 16776362) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
PubChem CID16776362
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)
InChIKeyGNWWSJURZCWCCO-UHFFFAOYSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
CID 6991228
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid (CID 16776362) is 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is GNWWSJURZCWCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid?
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 334.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 16776362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).