4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide

C19H20ClNO3 — CID 110618107

IUPAC4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H20ClNO3/c20-16-7-5-15(6-8-16)18(23)11-12-19(24)21-13-1-2-14-3-9-17(22)10-4-14/h3-10,22H,1-2,11-13H2,(H,21,24)
InChIKeyQMIIOPAXIZOXQD-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.76
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide (PubChem CID 110618107) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
PubChem CID110618107
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H20ClNO3/c20-16-7-5-15(6-8-16)18(23)11-12-19(24)21-13-1-2-14-3-9-17(22)10-4-14/h3-10,22H,1-2,11-13H2,(H,21,24)
InChIKeyQMIIOPAXIZOXQD-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972888
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide (CID 110618107) is 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCCCc1ccc(O)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide?
The InChIKey is QMIIOPAXIZOXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-16-7-5-15(6-8-16)18(23)11-12-19(24)21-13-1-2-14-3-9-17(22)10-4-14/h3-10,22H,1-2,11-13H2,(H,21,24).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide has a molecular weight of 345.83 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide is sourced from PubChem (CID 110618107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).