3-[1-(2,4-dichlorophenyl)propylamino]butanamide

C13H18Cl2N2O — CID 113342534

IUPAC3-[1-(2,4-dichlorophenyl)propylamino]butanamide
SMILESCCC(NC(C)CC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-12(17-8(2)6-13(16)18)10-5-4-9(14)7-11(10)15/h4-5,7-8,12,17H,3,6H2,1-2H3,(H2,16,18)
InChIKeyMKCWNRCWBZTOTJ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.30
Rot. Bonds6

About 3-[1-(2,4-dichlorophenyl)propylamino]butanamide

3-[1-(2,4-dichlorophenyl)propylamino]butanamide (PubChem CID 113342534) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)propylamino]butanamide.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)propylamino]butanamide
PubChem CID113342534
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-[1-(2,4-dichlorophenyl)propylamino]butanamide
SMILESCCC(NC(C)CC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-12(17-8(2)6-13(16)18)10-5-4-9(14)7-11(10)15/h4-5,7-8,12,17H,3,6H2,1-2H3,(H2,16,18)
InChIKeyMKCWNRCWBZTOTJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
(3S)-3-[[(1R)-1-[3-(4-amino-3-chlorophenoxy)-4-chloro-2-fluorophenyl]propyl]amino]butanamide;dihydrochloride
CID 140655296
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
(3R)-3-[[(1R)-1-[3-(4-amino-3-methylphenoxy)-4-chloro-2-fluorophenyl]propyl]amino]butanamide
CID 71556731
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
CID 115879477

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]butanamide?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]butanamide (CID 113342534) is 3-[1-(2,4-dichlorophenyl)propylamino]butanamide.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)propylamino]butanamide?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)propylamino]butanamide is CCC(NC(C)CC(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)propylamino]butanamide?
The InChIKey is MKCWNRCWBZTOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-12(17-8(2)6-13(16)18)10-5-4-9(14)7-11(10)15/h4-5,7-8,12,17H,3,6H2,1-2H3,(H2,16,18).
What are the key properties of 3-[1-(2,4-dichlorophenyl)propylamino]butanamide?
3-[1-(2,4-dichlorophenyl)propylamino]butanamide has a molecular weight of 289.21 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)propylamino]butanamide is sourced from PubChem (CID 113342534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).