2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid

C15H19BrN2O3 — CID 114549010

IUPAC2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1(C)CCC(NC(=O)Nc2ccc(Br)c(C(=O)O)c2)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(2)6-5-10(8-15)18-14(21)17-9-3-4-12(16)11(7-9)13(19)20/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCSKOPJNTVDTLHX-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.85
Rot. Bonds3

About 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid

2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 114549010) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID114549010
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1(C)CCC(NC(=O)Nc2ccc(Br)c(C(=O)O)c2)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(2)6-5-10(8-15)18-14(21)17-9-3-4-12(16)11(7-9)13(19)20/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCSKOPJNTVDTLHX-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-[(3,3-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

5-[(3,3-dimethylcyclopentyl)carbamoylamino]-2-methylbenzoic acid
CID 114548981
1-(4-aminophenyl)-3-(3,3-dimethylcyclopentyl)urea
CID 114547631
2-bromo-5-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 115295933
2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114548192
2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 115296693
2-bromo-5-(cyclopentylmethylcarbamoylamino)benzoic acid
CID 115296706
5-[(3,3-dimethylcyclopentyl)amino]-2-(trifluoromethyl)benzoic acid
CID 114541248
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
5-[(1-aminocyclopropanecarbonyl)amino]-2-bromobenzoic acid
CID 113281134
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid (CID 114549010) is 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid is CC1(C)CCC(NC(=O)Nc2ccc(Br)c(C(=O)O)c2)C1.
What is the InChIKey of 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is CSKOPJNTVDTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(2)6-5-10(8-15)18-14(21)17-9-3-4-12(16)11(7-9)13(19)20/h3-4,7,10H,5-6,8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid?
2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 355.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 114549010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).