N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide

C19H20ClNO4 — CID 86860404

IUPACN-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-25-14-6-4-13(5-7-14)18(22)10-11-19(23)21-17-9-8-15(24-2)12-16(17)20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyROUSMPQDGCGQBW-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.35
Rot. Bonds8

About N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide

N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 86860404) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID86860404
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-25-14-6-4-13(5-7-14)18(22)10-11-19(23)21-17-9-8-15(24-2)12-16(17)20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyROUSMPQDGCGQBW-UHFFFAOYSA-N
XLogP4.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
N-(3-acetamido-2-methylphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 134019287
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-(6-amino-1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119618979

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 86860404) is N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is ROUSMPQDGCGQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-25-14-6-4-13(5-7-14)18(22)10-11-19(23)21-17-9-8-15(24-2)12-16(17)20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 361.83 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 86860404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).