2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide

C14H14F2N2O2 — CID 168521390

IUPAC2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide
SMILESN#CCC(=O)Nc1cc(F)c(OCC2CCC2)c(F)c1
InChIInChI=1S/C14H14F2N2O2/c15-11-6-10(18-13(19)4-5-17)7-12(16)14(11)20-8-9-2-1-3-9/h6-7,9H,1-4,8H2,(H,18,19)
InChIKeySCATWXKLQKECAB-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.00
Rot. Bonds5

About 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide

2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide (PubChem CID 168521390) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide
PubChem CID168521390
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide
SMILESN#CCC(=O)Nc1cc(F)c(OCC2CCC2)c(F)c1
InChIInChI=1S/C14H14F2N2O2/c15-11-6-10(18-13(19)4-5-17)7-12(16)14(11)20-8-9-2-1-3-9/h6-7,9H,1-4,8H2,(H,18,19)
InChIKeySCATWXKLQKECAB-UHFFFAOYSA-N
XLogP3.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propane-1,2-diol
CID 168597020
1-chloro-3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propan-2-ol
CID 168637854
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide
CID 169370952
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
CID 69036852
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81283453
N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 539751
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
dimethyl (E)-2-[3,5-difluoro-4-(oxan-4-ylmethoxy)anilino]but-2-enedioate
CID 168568632

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide (CID 168521390) is 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide is N#CCC(=O)Nc1cc(F)c(OCC2CCC2)c(F)c1.
What is the InChIKey of 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide?
The InChIKey is SCATWXKLQKECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c15-11-6-10(18-13(19)4-5-17)7-12(16)14(11)20-8-9-2-1-3-9/h6-7,9H,1-4,8H2,(H,18,19).
What are the key properties of 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide?
2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide has a molecular weight of 280.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide is sourced from PubChem (CID 168521390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).