1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide

C15H17FN2O — CID 115183397

IUPAC1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CCc1cccc(F)c1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C15H17FN2O/c1-18(14(19)15(11-17)7-3-8-15)9-6-12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyVZHFEUWHGLGBQV-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.52
Rot. Bonds4

About 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide

1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 115183397) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
PubChem CID115183397
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CCc1cccc(F)c1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C15H17FN2O/c1-18(14(19)15(11-17)7-3-8-15)9-6-12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyVZHFEUWHGLGBQV-UHFFFAOYSA-N
XLogP2.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide (CID 115183397) is 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide is CN(CCc1cccc(F)c1)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is VZHFEUWHGLGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(14(19)15(11-17)7-3-8-15)9-6-12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).