4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide

C16H14F2N2O2 — CID 18195856

IUPAC4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-15-7-6-13(17)8-14(15)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyYQOCGIQVSYWUQF-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.85
Rot. Bonds4

About 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide

4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide (PubChem CID 18195856) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
PubChem CID18195856
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-15-7-6-13(17)8-14(15)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyYQOCGIQVSYWUQF-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
tert-butyl N-[[4-[(2,4-difluorophenyl)carbamoyl]phenyl]methyl]carbamate
CID 9078733
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
5-N-(2,4-difluorophenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106175
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide (CID 18195856) is 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide?
The InChIKey is YQOCGIQVSYWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10(21)19-9-11-2-4-12(5-3-11)16(22)20-15-7-6-13(17)8-14(15)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide?
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 18195856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).