3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid

C13H15BrN2O4 — CID 63113592

IUPAC3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(Br)c1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C13H15BrN2O4/c14-10-3-1-2-9(12(18)19)11(10)15-13(20)16(6-7-17)8-4-5-8/h1-3,8,17H,4-7H2,(H,15,20)(H,18,19)
InChIKeyGMCXVGSJWKWCMT-UHFFFAOYSA-N
MW343.18 g/mol
LogP2.14
Rot. Bonds5

About 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid

3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid (PubChem CID 63113592) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
PubChem CID63113592
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(Br)c1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C13H15BrN2O4/c14-10-3-1-2-9(12(18)19)11(10)15-13(20)16(6-7-17)8-4-5-8/h1-3,8,17H,4-7H2,(H,15,20)(H,18,19)
InChIKeyGMCXVGSJWKWCMT-UHFFFAOYSA-N
XLogP2.14
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865496
3-bromo-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 63113616
3-bromo-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 63113612
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
3-bromo-2-[[methyl(propyl)carbamoyl]amino]benzoic acid
CID 63113132
3-bromo-2-[[butyl(ethyl)carbamoyl]amino]benzoic acid
CID 63113130
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
3-bromo-2-(carbamothioylamino)benzoic acid
CID 169356004

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid (CID 63113592) is 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid is O=C(O)c1cccc(Br)c1NC(=O)N(CCO)C1CC1.
What is the InChIKey of 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The InChIKey is GMCXVGSJWKWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c14-10-3-1-2-9(12(18)19)11(10)15-13(20)16(6-7-17)8-4-5-8/h1-3,8,17H,4-7H2,(H,15,20)(H,18,19).
What are the key properties of 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid has a molecular weight of 343.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63113592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).