1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide

C19H21ClN2O — CID 3853433

IUPAC1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-22(2)17-9-3-14(4-10-17)13-21-18(23)19(11-12-19)15-5-7-16(20)8-6-15/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyCLZNRXNGGUUMNI-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 3853433) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID3853433
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-22(2)17-9-3-14(4-10-17)13-21-18(23)19(11-12-19)15-5-7-16(20)8-6-15/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyCLZNRXNGGUUMNI-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-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

1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(4-chlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclopropane-1-carboxamide
CID 56827735
1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)cyclopropane-1-carboxamide
CID 65112164
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide (CID 3853433) is 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide is CN(C)c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is CLZNRXNGGUUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22(2)17-9-3-14(4-10-17)13-21-18(23)19(11-12-19)15-5-7-16(20)8-6-15/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 3853433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).