N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

C17H16ClNO3 — CID 3604523

IUPACN-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO3/c1-22-15-7-5-12(6-8-15)16(20)9-10-17(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyDAZGDFFQMIYPJI-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.95
Rot. Bonds6

About N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 3604523) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID3604523
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO3/c1-22-15-7-5-12(6-8-15)16(20)9-10-17(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyDAZGDFFQMIYPJI-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 3595670
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
CID 49017115
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
CID 55343011
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide
CID 26757687
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide (CID 3604523) is N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is DAZGDFFQMIYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-22-15-7-5-12(6-8-15)16(20)9-10-17(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 317.77 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 3604523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).