2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C14H16BrClN2O3 — CID 82765860

IUPAC2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H16BrClN2O3/c1-14(12(19)20)6-2-3-11(14)18-13(21)17-8-4-5-10(16)9(15)7-8/h4-5,7,11H,2-3,6H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUPYPZKJMXALLCT-UHFFFAOYSA-N
MW375.65 g/mol
LogP3.87
Rot. Bonds3

About 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82765860) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82765860
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H16BrClN2O3/c1-14(12(19)20)6-2-3-11(14)18-13(21)17-8-4-5-10(16)9(15)7-8/h4-5,7,11H,2-3,6H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUPYPZKJMXALLCT-UHFFFAOYSA-N
XLogP3.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic 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

2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107368667
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
2-[(4-bromo-3-chlorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210681
1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762881
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-[(4-chloro-2,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82772593

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82765860) is 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is UPYPZKJMXALLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c1-14(12(19)20)6-2-3-11(14)18-13(21)17-8-4-5-10(16)9(15)7-8/h4-5,7,11H,2-3,6H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 375.65 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).