1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

C13H12F2N2O2 — CID 115181527

IUPAC1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1cc(F)c(N(C)C(=O)C2(C#N)CC2)cc1F
InChIInChI=1S/C13H12F2N2O2/c1-17(12(18)13(7-16)3-4-13)10-5-9(15)11(19-2)6-8(10)14/h5-6H,3-4H2,1-2H3
InChIKeyWLNFMRRIHMCLGP-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.24
Rot. Bonds3

About 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115181527) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115181527
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1cc(F)c(N(C)C(=O)C2(C#N)CC2)cc1F
InChIInChI=1S/C13H12F2N2O2/c1-17(12(18)13(7-16)3-4-13)10-5-9(15)11(19-2)6-8(10)14/h5-6H,3-4H2,1-2H3
InChIKeyWLNFMRRIHMCLGP-UHFFFAOYSA-N
XLogP2.24
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 61461787
3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
CID 115184634
N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
1-(2,4,6-trimethoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920867
3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide
CID 115184666
1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
CID 114839825
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 115181540
1-(4,5-dimethoxy-2-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920860
4-(2,5-difluoro-4-methoxyphenyl)-4-oxobutanenitrile
CID 116862131
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 115181647
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (CID 115181527) is 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is COc1cc(F)c(N(C)C(=O)C2(C#N)CC2)cc1F.
What is the InChIKey of 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is WLNFMRRIHMCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-17(12(18)13(7-16)3-4-13)10-5-9(15)11(19-2)6-8(10)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115181527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).