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

C13H18Cl2N2O — CID 60863213

IUPAC4-[1-(3,4-dichlorophenyl)propylamino]butanamide
SMILESCCC(NCCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-2-12(17-7-3-4-13(16)18)9-5-6-10(14)11(15)8-9/h5-6,8,12,17H,2-4,7H2,1H3,(H2,16,18)
InChIKeySWXARUXZSHZTTA-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.30
Rot. Bonds7

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

4-[1-(3,4-dichlorophenyl)propylamino]butanamide (PubChem CID 60863213) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)propylamino]butanamide.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)propylamino]butanamide
PubChem CID60863213
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name4-[1-(3,4-dichlorophenyl)propylamino]butanamide
SMILESCCC(NCCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-2-12(17-7-3-4-13(16)18)9-5-6-10(14)11(15)8-9/h5-6,8,12,17H,2-4,7H2,1H3,(H2,16,18)
InChIKeySWXARUXZSHZTTA-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
N-[1-(3,4-dichlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040767
5-(1-phenylpropylamino)pentanamide
CID 103529788
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
CID 43791661

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)propylamino]butanamide?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)propylamino]butanamide (CID 60863213) is 4-[1-(3,4-dichlorophenyl)propylamino]butanamide.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)propylamino]butanamide?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)propylamino]butanamide is CCC(NCCCC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)propylamino]butanamide?
The InChIKey is SWXARUXZSHZTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-2-12(17-7-3-4-13(16)18)9-5-6-10(14)11(15)8-9/h5-6,8,12,17H,2-4,7H2,1H3,(H2,16,18).
What are the key properties of 4-[1-(3,4-dichlorophenyl)propylamino]butanamide?
4-[1-(3,4-dichlorophenyl)propylamino]butanamide has a molecular weight of 289.21 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)propylamino]butanamide is sourced from PubChem (CID 60863213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).