4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide

C16H19ClN2O — CID 79211120

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1
InChIInChI=1S/C16H19ClN2O/c17-13-4-1-11(2-5-13)10-19(15-7-8-15)16(20)12-3-6-14(18)9-12/h1-6,12,14-15H,7-10,18H2
InChIKeyXPXRYLMMLOIILM-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.73
Rot. Bonds4

About 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide

4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide (PubChem CID 79211120) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
PubChem CID79211120
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1
InChIInChI=1S/C16H19ClN2O/c17-13-4-1-11(2-5-13)10-19(15-7-8-15)16(20)12-3-6-14(18)9-12/h1-6,12,14-15H,7-10,18H2
InChIKeyXPXRYLMMLOIILM-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide 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

4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79211040
(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786668
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
CID 79210326
4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
CID 110901151
4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
CID 79210320
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210718
2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
CID 60938691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide (CID 79211120) is 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide?
The InChIKey is XPXRYLMMLOIILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-4-1-11(2-5-13)10-19(15-7-8-15)16(20)12-3-6-14(18)9-12/h1-6,12,14-15H,7-10,18H2.
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).