2-cyano-N-(2,6-difluorophenyl)acetamide

C9H6F2N2O — CID 13174846

IUPAC2-cyano-N-(2,6-difluorophenyl)acetamide
SMILESN#CCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C9H6F2N2O/c10-6-2-1-3-7(11)9(6)13-8(14)4-5-12/h1-3H,4H2,(H,13,14)
InChIKeyLDGNQFALJBELDR-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.82
Rot. Bonds2

About 2-cyano-N-(2,6-difluorophenyl)acetamide

2-cyano-N-(2,6-difluorophenyl)acetamide (PubChem CID 13174846) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-cyano-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-difluorophenyl)acetamide
PubChem CID13174846
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2-cyano-N-(2,6-difluorophenyl)acetamide
SMILESN#CCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C9H6F2N2O/c10-6-2-1-3-7(11)9(6)13-8(14)4-5-12/h1-3H,4H2,(H,13,14)
InChIKeyLDGNQFALJBELDR-UHFFFAOYSA-N
XLogP1.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-cyanoacetyl)amino]-3-fluorobenzoate
CID 83294015
2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide
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2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-fluorobenzamide
CID 108922857
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-[(2-cyanoacetyl)amino]-6-fluoro-3-methylbenzoic acid
CID 168522491
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,6-difluorophenyl)acetamide (CID 13174846) is 2-cyano-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,6-difluorophenyl)acetamide is N#CCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-cyano-N-(2,6-difluorophenyl)acetamide?
The InChIKey is LDGNQFALJBELDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-6-2-1-3-7(11)9(6)13-8(14)4-5-12/h1-3H,4H2,(H,13,14).
What are the key properties of 2-cyano-N-(2,6-difluorophenyl)acetamide?
2-cyano-N-(2,6-difluorophenyl)acetamide has a molecular weight of 196.16 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 13174846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).