4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide

C13H15BrN2O2 — CID 79207502

IUPAC4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H15BrN2O2/c1-18-12-5-3-9(14)7-11(12)16-13(17)8-2-4-10(15)6-8/h2-5,7-8,10H,6,15H2,1H3,(H,16,17)
InChIKeyWDCAPNNHQNQSOK-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.30
Rot. Bonds3

About 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207502) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207502
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H15BrN2O2/c1-18-12-5-3-9(14)7-11(12)16-13(17)8-2-4-10(15)6-8/h2-5,7-8,10H,6,15H2,1H3,(H,16,17)
InChIKeyWDCAPNNHQNQSOK-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211222
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
CID 115411484
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 55110367
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 79207502) is 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide is COc1ccc(Br)cc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WDCAPNNHQNQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-18-12-5-3-9(14)7-11(12)16-13(17)8-2-4-10(15)6-8/h2-5,7-8,10H,6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).