4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide

C24H21Cl2NO4 — CID 108797023

IUPAC4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21Cl2NO4/c1-30-23-12-6-18(26)14-21(23)22(28)11-13-24(29)27-19-7-9-20(10-8-19)31-15-16-2-4-17(25)5-3-16/h2-10,12,14H,11,13,15H2,1H3,(H,27,29)
InChIKeyHKLVRJJMSUZJBO-UHFFFAOYSA-N
MW458.34 g/mol
LogP6.18
Rot. Bonds9

About 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide (PubChem CID 108797023) has the molecular formula C24H21Cl2NO4 and a molecular weight of 458.34 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
PubChem CID108797023
Molecular FormulaC24H21Cl2NO4
Molecular Weight458.34 g/mol
Exact Mass457.08
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21Cl2NO4/c1-30-23-12-6-18(26)14-21(23)22(28)11-13-24(29)27-19-7-9-20(10-8-19)31-15-16-2-4-17(25)5-3-16/h2-10,12,14H,11,13,15H2,1H3,(H,27,29)
InChIKeyHKLVRJJMSUZJBO-UHFFFAOYSA-N
XLogP6.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
CID 108730998
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
CID 2400388
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
4-(5-chloro-2-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 108727349

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide (CID 108797023) is 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide?
The InChIKey is HKLVRJJMSUZJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO4/c1-30-23-12-6-18(26)14-21(23)22(28)11-13-24(29)27-19-7-9-20(10-8-19)31-15-16-2-4-17(25)5-3-16/h2-10,12,14H,11,13,15H2,1H3,(H,27,29).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide has a molecular weight of 458.34 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide is sourced from PubChem (CID 108797023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).