N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide

C17H18FNO — CID 3946122

IUPACN-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H18FNO/c1-12-3-6-15(11-13(12)2)17(20)19-10-9-14-4-7-16(18)8-5-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyZNNGSUPKOBRULA-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide

N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide (PubChem CID 3946122) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
PubChem CID3946122
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H18FNO/c1-12-3-6-15(11-13(12)2)17(20)19-10-9-14-4-7-16(18)8-5-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyZNNGSUPKOBRULA-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

N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
3-fluoro-N-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide;hydroiodide
CID 111229306
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide (CID 3946122) is N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is ZNNGSUPKOBRULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-3-6-15(11-13(12)2)17(20)19-10-9-14-4-7-16(18)8-5-14/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide?
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide 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 N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 3946122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).