4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide

C17H17F2NO — CID 115745663

IUPAC4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
SMILESCc1cc(F)ccc1CCNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H17F2NO/c1-11-9-14(18)4-3-13(11)7-8-20-17(21)16-6-5-15(19)10-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyUPGABEBRWXCHAV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.55
Rot. Bonds4

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

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide (PubChem CID 115745663) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
PubChem CID115745663
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
SMILESCc1cc(F)ccc1CCNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H17F2NO/c1-11-9-14(18)4-3-13(11)7-8-20-17(21)16-6-5-15(19)10-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyUPGABEBRWXCHAV-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
CID 106544675
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81245489
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
4,5-dibromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 80536566

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide (CID 115745663) is 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide is Cc1cc(F)ccc1CCNC(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide?
The InChIKey is UPGABEBRWXCHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11-9-14(18)4-3-13(11)7-8-20-17(21)16-6-5-15(19)10-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide?
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide has a molecular weight of 289.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 115745663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).