4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide

C21H24ClNO3 — CID 110307812

IUPAC4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
SMILESCOc1ccc(CCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO3/c1-26-19-11-5-16(6-12-19)4-2-3-15-23-21(25)14-13-20(24)17-7-9-18(22)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,23,25)
InChIKeyHFGDCPUQCHGHBY-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.45
Rot. Bonds10

About 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide (PubChem CID 110307812) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
PubChem CID110307812
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
SMILESCOc1ccc(CCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO3/c1-26-19-11-5-16(6-12-19)4-2-3-15-23-21(25)14-13-20(24)17-7-9-18(22)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,23,25)
InChIKeyHFGDCPUQCHGHBY-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.45
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

N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90548870
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305545
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide (CID 110307812) is 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide is COc1ccc(CCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide?
The InChIKey is HFGDCPUQCHGHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-26-19-11-5-16(6-12-19)4-2-3-15-23-21(25)14-13-20(24)17-7-9-18(22)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,23,25).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide has a molecular weight of 373.88 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide is sourced from PubChem (CID 110307812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).