3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H16BrNO4 — CID 103550857

IUPAC3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(Br)c(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H16BrNO4/c1-20-10-4-5-11(15)12(7-10)16-13(17)8-2-3-9(6-8)14(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyYXXANQHGMMUQHM-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.90
Rot. Bonds4

About 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550857) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550857
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(Br)c(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H16BrNO4/c1-20-10-4-5-11(15)12(7-10)16-13(17)8-2-3-9(6-8)14(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyYXXANQHGMMUQHM-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-[(2-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-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551077
4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
CID 66235288
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide
CID 114105745
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550857) is 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid is COc1ccc(Br)c(NC(=O)C2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YXXANQHGMMUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-20-10-4-5-11(15)12(7-10)16-13(17)8-2-3-9(6-8)14(18)19/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-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-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).