4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide

C23H20ClNO3 — CID 2400388

IUPAC4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20ClNO3/c24-19-8-6-18(7-9-19)22(26)14-15-23(27)25-20-10-12-21(13-11-20)28-16-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,25,27)
InChIKeyUFLYMESRQXDIKQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.52
Rot. Bonds8

About 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide

4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 2400388) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID2400388
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20ClNO3/c24-19-8-6-18(7-9-19)22(26)14-15-23(27)25-20-10-12-21(13-11-20)28-16-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,25,27)
InChIKeyUFLYMESRQXDIKQ-UHFFFAOYSA-N
XLogP5.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide (CID 2400388) is 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is UFLYMESRQXDIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-19-8-6-18(7-9-19)22(26)14-15-23(27)25-20-10-12-21(13-11-20)28-16-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,25,27).
What are the key properties of 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide?
4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 393.87 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 2400388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).