4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide

C17H18FNO — CID 115745181

IUPAC4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H18FNO/c1-12-5-3-4-6-14(12)9-10-19-17(20)16-8-7-15(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyLOVZCCRTMHZYMR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.42
Rot. Bonds4

About 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide

4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 115745181) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID115745181
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H18FNO/c1-12-5-3-4-6-14(12)9-10-19-17(20)16-8-7-15(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyLOVZCCRTMHZYMR-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 26927952
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 34715649
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
CID 106544675
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
4-fluoro-2-methyl-N-(2-propylphenyl)benzamide
CID 115745651

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide (CID 115745181) is 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is LOVZCCRTMHZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-3-4-6-14(12)9-10-19-17(20)16-8-7-15(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide?
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 115745181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).