N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide

C17H18FNO — CID 11500020

IUPACN-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CCF)Cc2ccccc2)c1
InChIInChI=1S/C17H18FNO/c1-14-6-5-9-16(12-14)17(20)19(11-10-18)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3
InChIKeyGARDTIQATVKGGZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.61
Rot. Bonds5

About N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide

N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide (PubChem CID 11500020) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
PubChem CID11500020
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CCF)Cc2ccccc2)c1
InChIInChI=1S/C17H18FNO/c1-14-6-5-9-16(12-14)17(20)19(11-10-18)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3
InChIKeyGARDTIQATVKGGZ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide?
The IUPAC name of N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide (CID 11500020) is N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide?
The canonical SMILES for N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide is Cc1cccc(C(=O)N(CCF)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide?
The InChIKey is GARDTIQATVKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-14-6-5-9-16(12-14)17(20)19(11-10-18)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3.
What are the key properties of N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide?
N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide is sourced from PubChem (CID 11500020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).