3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide

C17H18FNO — CID 134054213

IUPAC3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO/c1-12-7-9-14(10-8-12)13(2)19(3)17(20)15-5-4-6-16(18)11-15/h4-11,13H,1-3H3
InChIKeyKRJADQDJBHTEDR-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.97
Rot. Bonds3

About 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide

3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 134054213) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID134054213
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO/c1-12-7-9-14(10-8-12)13(2)19(3)17(20)15-5-4-6-16(18)11-15/h4-11,13H,1-3H3
InChIKeyKRJADQDJBHTEDR-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
3-(2-amino-2-oxoethoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054424
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 134054215
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75869929
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide (CID 134054213) is 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)N(C)C(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is KRJADQDJBHTEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-7-9-14(10-8-12)13(2)19(3)17(20)15-5-4-6-16(18)11-15/h4-11,13H,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 271.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 134054213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).