1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide

C14H15FN2O — CID 113351969

IUPAC1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C#N)CC(C)C2)c1F
InChIInChI=1S/C14H15FN2O/c1-9-6-14(7-9,8-16)13(18)17-11-5-3-4-10(2)12(11)15/h3-5,9H,6-7H2,1-2H3,(H,17,18)
InChIKeyCHQOTDWWOUAVHY-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.01
Rot. Bonds2

About 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 113351969) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
PubChem CID113351969
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C#N)CC(C)C2)c1F
InChIInChI=1S/C14H15FN2O/c1-9-6-14(7-9,8-16)13(18)17-11-5-3-4-10(2)12(11)15/h3-5,9H,6-7H2,1-2H3,(H,17,18)
InChIKeyCHQOTDWWOUAVHY-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide (CID 113351969) is 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide is Cc1cccc(NC(=O)C2(C#N)CC(C)C2)c1F.
What is the InChIKey of 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is CHQOTDWWOUAVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-6-14(7-9,8-16)13(18)17-11-5-3-4-10(2)12(11)15/h3-5,9H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 113351969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).