N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide

C16H15FN2O2 — CID 60764705

IUPACN-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O2/c1-10-3-8-14(18-11(2)20)9-15(10)19-16(21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDAXJPODPKMRMEO-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.34
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide

N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide (PubChem CID 60764705) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
PubChem CID60764705
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O2/c1-10-3-8-14(18-11(2)20)9-15(10)19-16(21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDAXJPODPKMRMEO-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
CID 46474246
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(5-acetamido-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764048
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-(5-fluoro-2-methylphenyl)-4-formylbenzamide
CID 134025425
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
4-fluoro-N-[4-methyl-3-(3-pyrimidin-5-ylprop-2-enoylamino)phenyl]benzamide
CID 67494450

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide (CID 60764705) is N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide?
The InChIKey is DAXJPODPKMRMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-3-8-14(18-11(2)20)9-15(10)19-16(21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide?
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide has a molecular weight of 286.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 60764705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).