1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide

C17H17ClN2O — CID 115913331

IUPAC1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-3-1-2-12(10-14)11-20-16(21)17(8-9-17)13-4-6-15(19)7-5-13/h1-7,10H,8-9,11,19H2,(H,20,21)
InChIKeyBPCBCKGZDIGVFX-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115913331) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115913331
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-3-1-2-12(10-14)11-20-16(21)17(8-9-17)13-4-6-15(19)7-5-13/h1-7,10H,8-9,11,19H2,(H,20,21)
InChIKeyBPCBCKGZDIGVFX-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55660956
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 32566657

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide (CID 115913331) is 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)NCc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is BPCBCKGZDIGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-3-1-2-12(10-14)11-20-16(21)17(8-9-17)13-4-6-15(19)7-5-13/h1-7,10H,8-9,11,19H2,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115913331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).