N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide

C17H18FNO — CID 115745298

IUPACN-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H18FNO/c1-3-19(12-14-7-5-4-6-8-14)17(20)16-10-9-15(18)11-13(16)2/h4-11H,3,12H2,1-2H3
InChIKeyDNJGUHYMRAUQDK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.80
Rot. Bonds4

About N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide

N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide (PubChem CID 115745298) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
PubChem CID115745298
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H18FNO/c1-3-19(12-14-7-5-4-6-8-14)17(20)16-10-9-15(18)11-13(16)2/h4-11H,3,12H2,1-2H3
InChIKeyDNJGUHYMRAUQDK-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide?
The IUPAC name of N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide (CID 115745298) is N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1C.
What is the InChIKey of N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide?
The InChIKey is DNJGUHYMRAUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-3-19(12-14-7-5-4-6-8-14)17(20)16-10-9-15(18)11-13(16)2/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide?
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).