2-[1-(4-chlorophenyl)butylamino]propanamide

C13H19ClN2O — CID 43545331

IUPAC2-[1-(4-chlorophenyl)butylamino]propanamide
SMILESCCCC(NC(C)C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-4-12(16-9(2)13(15)17)10-5-7-11(14)8-6-10/h5-9,12,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyLDSSASBWQSNTSR-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.64
Rot. Bonds6

About 2-[1-(4-chlorophenyl)butylamino]propanamide

2-[1-(4-chlorophenyl)butylamino]propanamide (PubChem CID 43545331) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)butylamino]propanamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)butylamino]propanamide
PubChem CID43545331
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[1-(4-chlorophenyl)butylamino]propanamide
SMILESCCCC(NC(C)C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-4-12(16-9(2)13(15)17)10-5-7-11(14)8-6-10/h5-9,12,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyLDSSASBWQSNTSR-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylbutylamino)propanamide
CID 43401102
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
CID 106348706
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
2-(1,3-diphenylpropylamino)propanamide
CID 70078545
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)butylamino]propanamide?
The IUPAC name of 2-[1-(4-chlorophenyl)butylamino]propanamide (CID 43545331) is 2-[1-(4-chlorophenyl)butylamino]propanamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)butylamino]propanamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)butylamino]propanamide is CCCC(NC(C)C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)butylamino]propanamide?
The InChIKey is LDSSASBWQSNTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-12(16-9(2)13(15)17)10-5-7-11(14)8-6-10/h5-9,12,16H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-(4-chlorophenyl)butylamino]propanamide?
2-[1-(4-chlorophenyl)butylamino]propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)butylamino]propanamide is sourced from PubChem (CID 43545331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).