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

C13H14BrClN2O3 — CID 81281055

IUPAC3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1Br)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H14BrClN2O3/c14-10-6-8(15)2-4-11(10)17-13(20)16-9-3-1-7(5-9)12(18)19/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H2,16,17,20)
InChIKeyZVHQVMQFKHMQGS-UHFFFAOYSA-N
MW361.62 g/mol
LogP3.48
Rot. Bonds3

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

3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 81281055) has the molecular formula C13H14BrClN2O3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID81281055
Molecular FormulaC13H14BrClN2O3
Molecular Weight361.62 g/mol
Exact Mass359.99
IUPAC Name3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1Br)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H14BrClN2O3/c14-10-6-8(15)2-4-11(10)17-13(20)16-9-3-1-7(5-9)12(18)19/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H2,16,17,20)
InChIKeyZVHQVMQFKHMQGS-UHFFFAOYSA-N
XLogP3.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-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

cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107593237
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031213
4-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092526
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 81281055) is 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1ccc(Cl)cc1Br)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZVHQVMQFKHMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O3/c14-10-6-8(15)2-4-11(10)17-13(20)16-9-3-1-7(5-9)12(18)19/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 361.62 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81281055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).