3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H16BrNO4 — CID 103551077

IUPAC3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cc(Br)cc(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H16BrNO4/c1-20-12-6-10(15)5-11(7-12)16-13(17)8-2-3-9(4-8)14(18)19/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyLCSZLYZCNASQLU-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.90
Rot. Bonds4

About 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551077) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551077
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cc(Br)cc(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H16BrNO4/c1-20-12-6-10(15)5-11(7-12)16-13(17)8-2-3-9(4-8)14(18)19/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyLCSZLYZCNASQLU-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromo-5-methoxyphenyl)carbamoyl]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

3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
1-[(3-bromo-5-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CID 82859262
3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82860741
2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270376
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
3-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577238
(2R,4R)-1-[(3-bromo-5-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 82860449
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551077) is 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid is COc1cc(Br)cc(NC(=O)C2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LCSZLYZCNASQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-20-12-6-10(15)5-11(7-12)16-13(17)8-2-3-9(4-8)14(18)19/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).