N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide

C24H22Cl2FNO3 — CID 42709415

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCc2ccc(Cl)cc2Cl)Cc2ccccc2F)c1
InChIInChI=1S/C24H22Cl2FNO3/c1-30-20-11-18(12-21(14-20)31-2)24(29)28(15-17-5-3-4-6-23(17)27)10-9-16-7-8-19(25)13-22(16)26/h3-8,11-14H,9-10,15H2,1-2H3
InChIKeyHEJBRKYDYRSARR-UHFFFAOYSA-N
MW462.35 g/mol
LogP6.03
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 42709415) has the molecular formula C24H22Cl2FNO3 and a molecular weight of 462.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID42709415
Molecular FormulaC24H22Cl2FNO3
Molecular Weight462.35 g/mol
Exact Mass461.10
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCc2ccc(Cl)cc2Cl)Cc2ccccc2F)c1
InChIInChI=1S/C24H22Cl2FNO3/c1-30-20-11-18(12-21(14-20)31-2)24(29)28(15-17-5-3-4-6-23(17)27)10-9-16-7-8-19(25)13-22(16)26/h3-8,11-14H,9-10,15H2,1-2H3
InChIKeyHEJBRKYDYRSARR-UHFFFAOYSA-N
XLogP6.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide 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

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 42709410
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
CID 42709089
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42709110
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
N-butyl-N-[(2-chloroquinolin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 42706440
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 42703013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide (CID 42709415) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CCc2ccc(Cl)cc2Cl)Cc2ccccc2F)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is HEJBRKYDYRSARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FNO3/c1-30-20-11-18(12-21(14-20)31-2)24(29)28(15-17-5-3-4-6-23(17)27)10-9-16-7-8-19(25)13-22(16)26/h3-8,11-14H,9-10,15H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 462.35 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 42709415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).