3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide

C13H13FN2O3 — CID 115184634

IUPAC3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(C#N)COC2)cc1F
InChIInChI=1S/C13H13FN2O3/c1-16(12(17)13(6-15)7-19-8-13)9-3-4-11(18-2)10(14)5-9/h3-5H,7-8H2,1-2H3
InChIKeyYJSKSGYTWJQJTL-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.34
Rot. Bonds3

About 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide

3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide (PubChem CID 115184634) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
PubChem CID115184634
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(C#N)COC2)cc1F
InChIInChI=1S/C13H13FN2O3/c1-16(12(17)13(6-15)7-19-8-13)9-3-4-11(18-2)10(14)5-9/h3-5H,7-8H2,1-2H3
InChIKeyYJSKSGYTWJQJTL-UHFFFAOYSA-N
XLogP1.34
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115181527
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115184778
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
3-(2,4-dimethoxy-6-methylbenzoyl)oxetane-3-carbonitrile
CID 116922317
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
N-(3-bromo-4-methoxyphenyl)-3-cyanooxetane-3-carboxamide
CID 115184554
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide (CID 115184634) is 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide is COc1ccc(N(C)C(=O)C2(C#N)COC2)cc1F.
What is the InChIKey of 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide?
The InChIKey is YJSKSGYTWJQJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-16(12(17)13(6-15)7-19-8-13)9-3-4-11(18-2)10(14)5-9/h3-5H,7-8H2,1-2H3.
What are the key properties of 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide?
3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115184634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).