N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide

C14H19Cl2NO — CID 75981550

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-4-10(5-2)14(18)17-9(3)12-7-6-11(15)8-13(12)16/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyARHQSCHVKKVVIW-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.61
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide (PubChem CID 75981550) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
PubChem CID75981550
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-4-10(5-2)14(18)17-9(3)12-7-6-11(15)8-13(12)16/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyARHQSCHVKKVVIW-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
2-[[1-(2,4-dichlorophenyl)ethylcarbamoylamino]methyl]butanoic acid
CID 65219738
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide (CID 75981550) is N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
The InChIKey is ARHQSCHVKKVVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-10(5-2)14(18)17-9(3)12-7-6-11(15)8-13(12)16/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide has a molecular weight of 288.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 75981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).