N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide

C21H25Cl2NO2 — CID 42709089

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccc1OC
InChIInChI=1S/C21H25Cl2NO2/c1-3-4-9-21(25)24(15-17-7-5-6-8-20(17)26-2)13-12-16-10-11-18(22)14-19(16)23/h5-8,10-11,14H,3-4,9,12-13,15H2,1-2H3
InChIKeyMDAPFQGADMGFQF-UHFFFAOYSA-N
MW394.34 g/mol
LogP5.76
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide (PubChem CID 42709089) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
PubChem CID42709089
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccc1OC
InChIInChI=1S/C21H25Cl2NO2/c1-3-4-9-21(25)24(15-17-7-5-6-8-20(17)26-2)13-12-16-10-11-18(22)14-19(16)23/h5-8,10-11,14H,3-4,9,12-13,15H2,1-2H3
InChIKeyMDAPFQGADMGFQF-UHFFFAOYSA-N
XLogP5.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.34
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
CID 42709118
1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42709110
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
CID 42702978
ethyl 4-[2-(2,4-dichlorophenyl)ethyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxobutanoate
CID 42709217
(E)-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 42709104
2,4-dichloro-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5085337
3-butyl-1-[2-(2,4-dichlorophenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]urea
CID 42709219
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 42709415
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
methyl 5-[butyl-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]amino]-5-oxopentanoate
CID 42778564

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide (CID 42709089) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide is CCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccc1OC.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide?
The InChIKey is MDAPFQGADMGFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c1-3-4-9-21(25)24(15-17-7-5-6-8-20(17)26-2)13-12-16-10-11-18(22)14-19(16)23/h5-8,10-11,14H,3-4,9,12-13,15H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide has a molecular weight of 394.34 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 42709089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).