4-[1-(4-chlorophenyl)butylamino]butanamide

C14H21ClN2O — CID 60863570

IUPAC4-[1-(4-chlorophenyl)butylamino]butanamide
SMILESCCCC(NCCCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-2-4-13(17-10-3-5-14(16)18)11-6-8-12(15)9-7-11/h6-9,13,17H,2-5,10H2,1H3,(H2,16,18)
InChIKeyBDLMRIRSMCNIOM-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.04
Rot. Bonds8

About 4-[1-(4-chlorophenyl)butylamino]butanamide

4-[1-(4-chlorophenyl)butylamino]butanamide (PubChem CID 60863570) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)butylamino]butanamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)butylamino]butanamide
PubChem CID60863570
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-[1-(4-chlorophenyl)butylamino]butanamide
SMILESCCCC(NCCCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-2-4-13(17-10-3-5-14(16)18)11-6-8-12(15)9-7-11/h6-9,13,17H,2-5,10H2,1H3,(H2,16,18)
InChIKeyBDLMRIRSMCNIOM-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.04
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-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide
CID 79377021
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
CID 103776590
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366
2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
CID 115712612
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)butylamino]butanamide?
The IUPAC name of 4-[1-(4-chlorophenyl)butylamino]butanamide (CID 60863570) is 4-[1-(4-chlorophenyl)butylamino]butanamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)butylamino]butanamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)butylamino]butanamide is CCCC(NCCCC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)butylamino]butanamide?
The InChIKey is BDLMRIRSMCNIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-4-13(17-10-3-5-14(16)18)11-6-8-12(15)9-7-11/h6-9,13,17H,2-5,10H2,1H3,(H2,16,18).
What are the key properties of 4-[1-(4-chlorophenyl)butylamino]butanamide?
4-[1-(4-chlorophenyl)butylamino]butanamide has a molecular weight of 268.79 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)butylamino]butanamide is sourced from PubChem (CID 60863570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).