N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide

C15H14F2N2O — CID 63210412

IUPACN-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C15H14F2N2O/c1-9-7-10(3-6-14(9)18-2)15(20)19-11-4-5-12(16)13(17)8-11/h3-8,18H,1-2H3,(H,19,20)
InChIKeyAOINBZNQKJNQPN-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.57
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide

N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide (PubChem CID 63210412) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
PubChem CID63210412
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C15H14F2N2O/c1-9-7-10(3-6-14(9)18-2)15(20)19-11-4-5-12(16)13(17)8-11/h3-8,18H,1-2H3,(H,19,20)
InChIKeyAOINBZNQKJNQPN-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210283
N-(4-ethylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63210110
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176615
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
CID 137353520
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide (CID 63210412) is N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide?
The InChIKey is AOINBZNQKJNQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-7-10(3-6-14(9)18-2)15(20)19-11-4-5-12(16)13(17)8-11/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide?
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide has a molecular weight of 276.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63210412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).