4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide

C16H17FN2O — CID 63213814

IUPAC4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H17FN2O/c1-11-9-12(7-8-14(11)17)16(20)19-15-6-4-3-5-13(15)10-18-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyLLMROQNNWWMHDR-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.11
Rot. Bonds4

About 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide

4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 63213814) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID63213814
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H17FN2O/c1-11-9-12(7-8-14(11)17)16(20)19-15-6-4-3-5-13(15)10-18-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyLLMROQNNWWMHDR-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 79755148
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 107677077
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide (CID 63213814) is 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is LLMROQNNWWMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-9-12(7-8-14(11)17)16(20)19-15-6-4-3-5-13(15)10-18-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide?
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 63213814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).