2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid

C15H13BrN2O3 — CID 107627490

IUPAC2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
SMILESCc1c(Br)cccc1NC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H13BrN2O3/c1-9-11(16)6-4-8-12(9)17-15(21)18-13-7-3-2-5-10(13)14(19)20/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyNDIAZBFVGWPTNF-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.10
Rot. Bonds3

About 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid

2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid (PubChem CID 107627490) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
PubChem CID107627490
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
SMILESCc1c(Br)cccc1NC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H13BrN2O3/c1-9-11(16)6-4-8-12(9)17-15(21)18-13-7-3-2-5-10(13)14(19)20/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyNDIAZBFVGWPTNF-UHFFFAOYSA-N
XLogP4.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-methylphenyl)carbamoylamino]benzoic acid
CID 63548637
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
CID 107627485
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
CID 170843062
CID 170843062
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046
1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107627199

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid (CID 107627490) is 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid is Cc1c(Br)cccc1NC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid?
The InChIKey is NDIAZBFVGWPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-11(16)6-4-8-12(9)17-15(21)18-13-7-3-2-5-10(13)14(19)20/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid?
2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid has a molecular weight of 349.18 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 107627490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).