4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide

C16H12F2N2O2 — CID 111451257

IUPAC4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-12-2-1-3-13(18)15(12)14(21)9-20-16(22)11-6-4-10(8-19)5-7-11/h1-7,14,21H,9H2,(H,20,22)
InChIKeyJLIFBRAJWBHEPS-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.30
Rot. Bonds4

About 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide

4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 111451257) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID111451257
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-12-2-1-3-13(18)15(12)14(21)9-20-16(22)11-6-4-10(8-19)5-7-11/h1-7,14,21H,9H2,(H,20,22)
InChIKeyJLIFBRAJWBHEPS-UHFFFAOYSA-N
XLogP2.30
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
CID 69070072
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 111451534
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide (CID 111451257) is 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide is N#Cc1ccc(C(=O)NCC(O)c2c(F)cccc2F)cc1.
What is the InChIKey of 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is JLIFBRAJWBHEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-12-2-1-3-13(18)15(12)14(21)9-20-16(22)11-6-4-10(8-19)5-7-11/h1-7,14,21H,9H2,(H,20,22).
What are the key properties of 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 302.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 111451257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).