4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide

C18H19ClN2O2 — CID 110607164

IUPAC4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCCCc1cccnc1
InChIInChI=1S/C18H19ClN2O2/c19-16-8-2-1-7-15(16)17(22)9-10-18(23)21-12-4-6-14-5-3-11-20-13-14/h1-3,5,7-8,11,13H,4,6,9-10,12H2,(H,21,23)
InChIKeyJWRQTJVQJDLGII-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.45
Rot. Bonds8

About 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide

4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide (PubChem CID 110607164) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
PubChem CID110607164
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCCCc1cccnc1
InChIInChI=1S/C18H19ClN2O2/c19-16-8-2-1-7-15(16)17(22)9-10-18(23)21-12-4-6-14-5-3-11-20-13-14/h1-3,5,7-8,11,13H,4,6,9-10,12H2,(H,21,23)
InChIKeyJWRQTJVQJDLGII-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
4-(4-tert-butylphenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110616007
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide?
The IUPAC name of 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide (CID 110607164) is 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide?
The canonical SMILES for 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide is O=C(CCC(=O)c1ccccc1Cl)NCCCc1cccnc1.
What is the InChIKey of 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide?
The InChIKey is JWRQTJVQJDLGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-8-2-1-7-15(16)17(22)9-10-18(23)21-12-4-6-14-5-3-11-20-13-14/h1-3,5,7-8,11,13H,4,6,9-10,12H2,(H,21,23).
What are the key properties of 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide?
4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide has a molecular weight of 330.81 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide is sourced from PubChem (CID 110607164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).