3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid

C15H12BrNO4 — CID 104832973

IUPAC3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Cc1cccc(Br)c1)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C15H12BrNO4/c16-10-4-1-3-9(7-10)8-13(18)17-12-6-2-5-11(14(12)19)15(20)21/h1-7,19H,8H2,(H,17,18)(H,20,21)
InChIKeyQKMAYCOSDVCRGP-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.03
Rot. Bonds4

About 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid

3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid (PubChem CID 104832973) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid
PubChem CID104832973
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Cc1cccc(Br)c1)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C15H12BrNO4/c16-10-4-1-3-9(7-10)8-13(18)17-12-6-2-5-11(14(12)19)15(20)21/h1-7,19H,8H2,(H,17,18)(H,20,21)
InChIKeyQKMAYCOSDVCRGP-UHFFFAOYSA-N
XLogP3.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
N-(2-bromo-4-chlorophenyl)-2-(3-bromophenyl)acetamide
CID 81271927
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
2-(3-bromophenyl)acetate
CID 3608673
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 100698722
methyl 3-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-hydroxybenzoate
CID 56543969
2-(3-bromophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097926
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid (CID 104832973) is 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid is O=C(Cc1cccc(Br)c1)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is QKMAYCOSDVCRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-10-4-1-3-9(7-10)8-13(18)17-12-6-2-5-11(14(12)19)15(20)21/h1-7,19H,8H2,(H,17,18)(H,20,21).
What are the key properties of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid?
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid has a molecular weight of 350.17 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104832973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).