3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid

C15H19BrN2O3 — CID 64923038

IUPAC3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCC(NC(=O)Nc2c(Br)cccc2C(=O)O)C1C
InChIInChI=1S/C15H19BrN2O3/c1-8-6-7-12(9(8)2)17-15(21)18-13-10(14(19)20)4-3-5-11(13)16/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyVWKKOXMRPMGMCV-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.70
Rot. Bonds3

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

3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 64923038) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID64923038
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCC(NC(=O)Nc2c(Br)cccc2C(=O)O)C1C
InChIInChI=1S/C15H19BrN2O3/c1-8-6-7-12(9(8)2)17-15(21)18-13-10(14(19)20)4-3-5-11(13)16/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyVWKKOXMRPMGMCV-UHFFFAOYSA-N
XLogP3.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]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-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 63113628
3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 63113766
2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid
CID 64920642
3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 63113608
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
3-bromo-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoic acid
CID 104959743
3-bromo-2-[(4-chlorophenyl)carbamoylamino]benzoic acid
CID 63112769
3-bromo-2-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 63112803
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
3-bromo-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63113630
3-bromo-2-(carbamothioylamino)benzoic acid
CID 169356004
2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
CID 107601036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid (CID 64923038) is 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid is CC1CCC(NC(=O)Nc2c(Br)cccc2C(=O)O)C1C.
What is the InChIKey of 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is VWKKOXMRPMGMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-8-6-7-12(9(8)2)17-15(21)18-13-10(14(19)20)4-3-5-11(13)16/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 355.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 64923038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).