N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide

C18H15ClN2O — CID 134044735

IUPACN-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1Cl
InChIInChI=1S/C18H15ClN2O/c19-16-11-15(8-7-13(16)12-20)21-17(22)18(9-4-10-18)14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10H2,(H,21,22)
InChIKeyJQGUQIICWVLZCX-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.27
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide

N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 134044735) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
PubChem CID134044735
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1Cl
InChIInChI=1S/C18H15ClN2O/c19-16-11-15(8-7-13(16)12-20)21-17(22)18(9-4-10-18)14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10H2,(H,21,22)
InChIKeyJQGUQIICWVLZCX-UHFFFAOYSA-N
XLogP4.27
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
CID 110473537
2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 52707482
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8696473
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
1-(3-chloro-4-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572940

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide (CID 134044735) is N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide is N#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is JQGUQIICWVLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-16-11-15(8-7-13(16)12-20)21-17(22)18(9-4-10-18)14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10H2,(H,21,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide?
N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 134044735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).