4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide

C20H22ClNO4 — CID 108808305

IUPAC4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22ClNO4/c1-13(2)26-16-7-5-15(6-8-16)22-20(24)11-9-18(23)17-12-14(21)4-10-19(17)25-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,24)
InChIKeyOHYVBJFJQCXCII-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.74
Rot. Bonds8

About 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide

4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide (PubChem CID 108808305) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
PubChem CID108808305
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22ClNO4/c1-13(2)26-16-7-5-15(6-8-16)22-20(24)11-9-18(23)17-12-14(21)4-10-19(17)25-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,24)
InChIKeyOHYVBJFJQCXCII-UHFFFAOYSA-N
XLogP4.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
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
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
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
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82553026
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113172889

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide (CID 108808305) is 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
The InChIKey is OHYVBJFJQCXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-13(2)26-16-7-5-15(6-8-16)22-20(24)11-9-18(23)17-12-14(21)4-10-19(17)25-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,24).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide?
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide has a molecular weight of 375.85 g/mol, XLogP of 4.74, 8 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)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 108808305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).