4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide

C21H18ClNO3 — CID 108797024

IUPAC4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H18ClNO3/c1-26-20-10-7-16(22)13-18(20)19(24)9-11-21(25)23-17-8-6-14-4-2-3-5-15(14)12-17/h2-8,10,12-13H,9,11H2,1H3,(H,23,25)
InChIKeySPWKWIUKYZTLGJ-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.10
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide (PubChem CID 108797024) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
PubChem CID108797024
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H18ClNO3/c1-26-20-10-7-16(22)13-18(20)19(24)9-11-21(25)23-17-8-6-14-4-2-3-5-15(14)12-17/h2-8,10,12-13H,9,11H2,1H3,(H,23,25)
InChIKeySPWKWIUKYZTLGJ-UHFFFAOYSA-N
XLogP5.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280
4-(5-chloro-2-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 108727349
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
CID 108730998

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide (CID 108797024) is 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is SPWKWIUKYZTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-26-20-10-7-16(22)13-18(20)19(24)9-11-21(25)23-17-8-6-14-4-2-3-5-15(14)12-17/h2-8,10,12-13H,9,11H2,1H3,(H,23,25).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 367.83 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 108797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).