1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide

C14H15FN2O2 — CID 114839825

IUPAC1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-9-6-14(7-9,8-16)13(18)17-10-3-4-11(15)12(5-10)19-2/h3-5,9H,6-7H2,1-2H3,(H,17,18)
InChIKeyFXVUGFNLRKDJBT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.71
Rot. Bonds3

About 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 114839825) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
PubChem CID114839825
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-9-6-14(7-9,8-16)13(18)17-10-3-4-11(15)12(5-10)19-2/h3-5,9H,6-7H2,1-2H3,(H,17,18)
InChIKeyFXVUGFNLRKDJBT-UHFFFAOYSA-N
XLogP2.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
CID 80501151
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
N-(3-bromo-4-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80501438
1-cyano-3-methyl-N-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxamide
CID 80500942
1-cyano-3-methyl-N-(2,4,6-trifluorophenyl)cyclobutane-1-carboxamide
CID 80592255
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
1-cyano-3-methyl-N-(3-nitrophenyl)cyclobutane-1-carboxamide
CID 80501271
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide (CID 114839825) is 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide is COc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1F.
What is the InChIKey of 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is FXVUGFNLRKDJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-6-14(7-9,8-16)13(18)17-10-3-4-11(15)12(5-10)19-2/h3-5,9H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 114839825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).