4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide

C18H19FN2O2 — CID 119048371

IUPAC4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-4-5-14(10-17(12)19)11-21(3)18(23)15-6-8-16(9-7-15)20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyHITRMTQGQVZYAB-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.36
Rot. Bonds4

About 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide

4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide (PubChem CID 119048371) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
PubChem CID119048371
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-4-5-14(10-17(12)19)11-21(3)18(23)15-6-8-16(9-7-15)20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyHITRMTQGQVZYAB-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 78894069
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide
CID 55828448
4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
CID 155945610

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide (CID 119048371) is 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide?
The InChIKey is HITRMTQGQVZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-4-5-14(10-17(12)19)11-21(3)18(23)15-6-8-16(9-7-15)20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide?
4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 119048371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).