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

C12H16Cl2N2O — CID 60865196

IUPAC4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(16-6-2-3-12(15)17)9-4-5-10(13)11(14)7-9/h4-5,7-8,16H,2-3,6H2,1H3,(H2,15,17)
InChIKeyLIRIEUNUXHTGPT-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.91
Rot. Bonds6

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

4-[1-(3,4-dichlorophenyl)ethylamino]butanamide (PubChem CID 60865196) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
PubChem CID60865196
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(16-6-2-3-12(15)17)9-4-5-10(13)11(14)7-9/h4-5,7-8,16H,2-3,6H2,1H3,(H2,15,17)
InChIKeyLIRIEUNUXHTGPT-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.91
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

4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214674
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide (CID 60865196) is 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide is CC(NCCCC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide?
The InChIKey is LIRIEUNUXHTGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(16-6-2-3-12(15)17)9-4-5-10(13)11(14)7-9/h4-5,7-8,16H,2-3,6H2,1H3,(H2,15,17).
What are the key properties of 4-[1-(3,4-dichlorophenyl)ethylamino]butanamide?
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide has a molecular weight of 275.18 g/mol, XLogP of 2.91, 6 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)ethylamino]butanamide is sourced from PubChem (CID 60865196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).