N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide

C17H15N3O — CID 62878827

IUPACN-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESN#Cc1cc(N)ccc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15N3O/c18-11-12-10-14(19)6-7-15(12)20-16(21)17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9,19H2,(H,20,21)
InChIKeyWGZRWEJLYMRHKV-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.81
Rot. Bonds3

About N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide

N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 62878827) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID62878827
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESN#Cc1cc(N)ccc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15N3O/c18-11-12-10-14(19)6-7-15(12)20-16(21)17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9,19H2,(H,20,21)
InChIKeyWGZRWEJLYMRHKV-UHFFFAOYSA-N
XLogP2.81
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
CID 64786881
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
CID 134044735
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995
1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
CID 115913409
5-amino-2-[[1-(hydroxymethyl)cyclohexyl]amino]benzonitrile
CID 55087026
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide (CID 62878827) is N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide is N#Cc1cc(N)ccc1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WGZRWEJLYMRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-11-12-10-14(19)6-7-15(12)20-16(21)17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9,19H2,(H,20,21).
What are the key properties of N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide?
N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 62878827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).