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

C13H15BrN2O — CID 79211222

IUPAC4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C=CC(N)C2)c(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-8-2-5-12(11(14)6-8)16-13(17)9-3-4-10(15)7-9/h2-6,9-10H,7,15H2,1H3,(H,16,17)
InChIKeyFJXFTAOFCCGKRF-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.60
Rot. Bonds2

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

4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211222) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211222
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C=CC(N)C2)c(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-8-2-5-12(11(14)6-8)16-13(17)9-3-4-10(15)7-9/h2-6,9-10H,7,15H2,1H3,(H,16,17)
InChIKeyFJXFTAOFCCGKRF-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79207502
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-fluorobenzoic acid
CID 79208389
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208809
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide (CID 79211222) is 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide is Cc1ccc(NC(=O)C2C=CC(N)C2)c(Br)c1.
What is the InChIKey of 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FJXFTAOFCCGKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-2-5-12(11(14)6-8)16-13(17)9-3-4-10(15)7-9/h2-6,9-10H,7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 295.18 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).