4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide

C13H17ClN2O2 — CID 94279162

IUPAC4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H17ClN2O2/c1-2-7-16-13(18)6-5-12(17)9-3-4-10(14)11(15)8-9/h3-4,8H,2,5-7,15H2,1H3,(H,16,18)
InChIKeyDXZBKGZZPXBIPP-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.41
Rot. Bonds6

About 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide

4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide (PubChem CID 94279162) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
PubChem CID94279162
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H17ClN2O2/c1-2-7-16-13(18)6-5-12(17)9-3-4-10(14)11(15)8-9/h3-4,8H,2,5-7,15H2,1H3,(H,16,18)
InChIKeyDXZBKGZZPXBIPP-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-4-oxo-N-propylbutanamide
CID 94262243
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
2,5-dichloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108540671
1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116552334
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide (CID 94279162) is 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide?
The InChIKey is DXZBKGZZPXBIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-7-16-13(18)6-5-12(17)9-3-4-10(14)11(15)8-9/h3-4,8H,2,5-7,15H2,1H3,(H,16,18).
What are the key properties of 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide?
4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide has a molecular weight of 268.74 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 94279162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).