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

C12H12BrClN2O — CID 81263521

IUPAC4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C12H12BrClN2O/c13-10-6-8(14)2-4-11(10)16-12(17)7-1-3-9(15)5-7/h1-4,6-7,9H,5,15H2,(H,16,17)
InChIKeyDPVXMTOFDPYCTJ-UHFFFAOYSA-N
MW315.60 g/mol
LogP2.94
Rot. Bonds2

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

4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 81263521) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
PubChem CID81263521
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C12H12BrClN2O/c13-10-6-8(14)2-4-11(10)16-12(17)7-1-3-9(15)5-7/h1-4,6-7,9H,5,15H2,(H,16,17)
InChIKeyDPVXMTOFDPYCTJ-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 52.94
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-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211222
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-chlorobenzoic acid
CID 79207584
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
CID 79211095
(2-bromo-4-chlorophenyl)urea
CID 81003362
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391211
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-fluorobenzoic acid
CID 79208389
4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79207502
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4,5-difluorobenzoic acid
CID 79207142
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79207710
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-6-chlorobenzoic acid
CID 79208298
4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209278

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide (CID 81263521) is 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc(Cl)cc2Br)C1.
What is the InChIKey of 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is DPVXMTOFDPYCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c13-10-6-8(14)2-4-11(10)16-12(17)7-1-3-9(15)5-7/h1-4,6-7,9H,5,15H2,(H,16,17).
What are the key properties of 4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 315.60 g/mol, XLogP of 2.94, 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-chlorophenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 81263521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).