1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide

C14H14F2N2O — CID 115183365

IUPAC1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2cc(F)ccc2F)CCC1
InChIInChI=1S/C14H14F2N2O/c15-11-2-3-12(16)10(8-11)4-7-18-13(19)14(9-17)5-1-6-14/h2-3,8H,1,4-7H2,(H,18,19)
InChIKeyAJWRUDISEXYMKW-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.32
Rot. Bonds4

About 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115183365) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115183365
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2cc(F)ccc2F)CCC1
InChIInChI=1S/C14H14F2N2O/c15-11-2-3-12(16)10(8-11)4-7-18-13(19)14(9-17)5-1-6-14/h2-3,8H,1,4-7H2,(H,18,19)
InChIKeyAJWRUDISEXYMKW-UHFFFAOYSA-N
XLogP2.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183319
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
2-(2,5-difluorophenyl)ethylurea
CID 115168493
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181711
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide (CID 115183365) is 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide is N#CC1(C(=O)NCCc2cc(F)ccc2F)CCC1.
What is the InChIKey of 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is AJWRUDISEXYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-11-2-3-12(16)10(8-11)4-7-18-13(19)14(9-17)5-1-6-14/h2-3,8H,1,4-7H2,(H,18,19).
What are the key properties of 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 264.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115183365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).