N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide

C18H19FN2O2 — CID 113092818

IUPACN-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide
SMILESCC(=O)N(C)c1ccc(F)cc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-11-5-6-14(9-12(11)2)18(23)20-16-10-15(19)7-8-17(16)21(4)13(3)22/h5-10H,1-4H3,(H,20,23)
InChIKeyWRNFCRYYDOIHCK-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.68
Rot. Bonds3

About N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide

N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide (PubChem CID 113092818) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide
PubChem CID113092818
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide
SMILESCC(=O)N(C)c1ccc(F)cc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-11-5-6-14(9-12(11)2)18(23)20-16-10-15(19)7-8-17(16)21(4)13(3)22/h5-10H,1-4H3,(H,20,23)
InChIKeyWRNFCRYYDOIHCK-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
CID 113093168
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(5-fluoro-2-methylphenyl)-4-formylbenzamide
CID 134025425
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 17459398
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide (CID 113092818) is N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide is CC(=O)N(C)c1ccc(F)cc1NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide?
The InChIKey is WRNFCRYYDOIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-5-6-14(9-12(11)2)18(23)20-16-10-15(19)7-8-17(16)21(4)13(3)22/h5-10H,1-4H3,(H,20,23).
What are the key properties of N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide?
N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113092818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).