1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide

C14H15FN2O — CID 78994705

IUPAC1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C14H15FN2O/c1-17(9-11-3-5-12(15)6-4-11)13(18)14(10-16)7-2-8-14/h3-6H,2,7-9H2,1H3
InChIKeyWMFLHMIYWNRZFL-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.48
Rot. Bonds3

About 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide

1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 78994705) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
PubChem CID78994705
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C14H15FN2O/c1-17(9-11-3-5-12(15)6-4-11)13(18)14(10-16)7-2-8-14/h3-6H,2,7-9H2,1H3
InChIKeyWMFLHMIYWNRZFL-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 115181647
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide (CID 78994705) is 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is WMFLHMIYWNRZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17(9-11-3-5-12(15)6-4-11)13(18)14(10-16)7-2-8-14/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 78994705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).