2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide

C16H24Cl2N2O — CID 43112445

IUPAC2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-5-13(6-2)20-16(21)11(4)19-10(3)14-8-7-12(17)9-15(14)18/h7-11,13,19H,5-6H2,1-4H3,(H,20,21)
InChIKeyGYPUMALBJUMSAB-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.34
Rot. Bonds7

About 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide

2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide (PubChem CID 43112445) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
PubChem CID43112445
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-5-13(6-2)20-16(21)11(4)19-10(3)14-8-7-12(17)9-15(14)18/h7-11,13,19H,5-6H2,1-4H3,(H,20,21)
InChIKeyGYPUMALBJUMSAB-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
CID 43112448
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
2-[[1-(2,4-dichlorophenyl)ethylcarbamoylamino]methyl]butanoic acid
CID 65219738

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide (CID 43112445) is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide?
The InChIKey is GYPUMALBJUMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-5-13(6-2)20-16(21)11(4)19-10(3)14-8-7-12(17)9-15(14)18/h7-11,13,19H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide?
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide has a molecular weight of 331.29 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43112445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).