3-bromo-2-[(2-phenylacetyl)amino]benzoic acid

C15H12BrNO3 — CID 63112938

IUPAC3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H12BrNO3/c16-12-8-4-7-11(15(19)20)14(12)17-13(18)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyZWFFXEVYJKTQSQ-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.33
Rot. Bonds4

About 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid

3-bromo-2-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 63112938) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
PubChem CID63112938
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H12BrNO3/c16-12-8-4-7-11(15(19)20)14(12)17-13(18)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyZWFFXEVYJKTQSQ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112944
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
CID 63112855
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
3-bromo-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 55176730
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-bromobenzoic acid
CID 63113236
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183
3-bromo-2-(nonanoylamino)benzoic acid
CID 63405626
3-bromo-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid
CID 63112767

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid (CID 63112938) is 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid is O=C(Cc1ccccc1)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is ZWFFXEVYJKTQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-12-8-4-7-11(15(19)20)14(12)17-13(18)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid?
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid has a molecular weight of 334.17 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 63112938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).