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

C22H27Cl2NO2 — CID 42709118

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(OCC)cc1
InChIInChI=1S/C22H27Cl2NO2/c1-3-5-6-22(26)25(14-13-18-9-10-19(23)15-21(18)24)16-17-7-11-20(12-8-17)27-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeySFOGWFBXWUJBFA-UHFFFAOYSA-N
MW408.37 g/mol
LogP6.15
Rot. Bonds10

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

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide (PubChem CID 42709118) has the molecular formula C22H27Cl2NO2 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
PubChem CID42709118
Molecular FormulaC22H27Cl2NO2
Molecular Weight408.37 g/mol
Exact Mass407.14
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(OCC)cc1
InChIInChI=1S/C22H27Cl2NO2/c1-3-5-6-22(26)25(14-13-18-9-10-19(23)15-21(18)24)16-17-7-11-20(12-8-17)27-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeySFOGWFBXWUJBFA-UHFFFAOYSA-N
XLogP6.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 42657339
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
CID 42709089
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
CID 42702978
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
ethyl 4-[2-(2,4-dichlorophenyl)ethyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxobutanoate
CID 42709217
N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
CID 42695765
3-butyl-1-[2-(2,4-dichlorophenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]urea
CID 42709219
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 57456389
3-(2,4-dichlorophenyl)-1-[(4-pentoxyphenyl)methyl]-1-[(4-pentylphenyl)methyl]urea
CID 15137610
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide (CID 42709118) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide is CCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(OCC)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide?
The InChIKey is SFOGWFBXWUJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO2/c1-3-5-6-22(26)25(14-13-18-9-10-19(23)15-21(18)24)16-17-7-11-20(12-8-17)27-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide has a molecular weight of 408.37 g/mol, XLogP of 6.15, 10 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-[(4-ethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 42709118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).