4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide

C17H18FNO — CID 63213046

IUPAC4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2C)ccc1F
InChIInChI=1S/C17H18FNO/c1-12-6-4-5-7-15(12)11-19(3)17(20)14-8-9-16(18)13(2)10-14/h4-10H,11H2,1-3H3
InChIKeyLPDCIWKAYSRSGZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.71
Rot. Bonds3

About 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide

4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 63213046) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID63213046
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2C)ccc1F
InChIInChI=1S/C17H18FNO/c1-12-6-4-5-7-15(12)11-19(3)17(20)14-8-9-16(18)13(2)10-14/h4-10H,11H2,1-3H3
InChIKeyLPDCIWKAYSRSGZ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55596549
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide (CID 63213046) is 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide is Cc1cc(C(=O)N(C)Cc2ccccc2C)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is LPDCIWKAYSRSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-6-4-5-7-15(12)11-19(3)17(20)14-8-9-16(18)13(2)10-14/h4-10H,11H2,1-3H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide?
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 63213046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).