N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide

C17H16F2N2O2 — CID 113094861

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
SMILESCC(=O)N(C)c1ccc(N(C)C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11(22)20(2)13-5-7-14(8-6-13)21(3)17(23)12-4-9-15(18)16(19)10-12/h4-10H,1-3H3
InChIKeyGJODIOLNFQYELF-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.22
Rot. Bonds3

About N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide

N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 113094861) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
PubChem CID113094861
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
SMILESCC(=O)N(C)c1ccc(N(C)C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11(22)20(2)13-5-7-14(8-6-13)21(3)17(23)12-4-9-15(18)16(19)10-12/h4-10H,1-3H3
InChIKeyGJODIOLNFQYELF-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide (CID 113094861) is N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide is CC(=O)N(C)c1ccc(N(C)C(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is GJODIOLNFQYELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11(22)20(2)13-5-7-14(8-6-13)21(3)17(23)12-4-9-15(18)16(19)10-12/h4-10H,1-3H3.
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 318.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 113094861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).