N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide

C19H19ClN2O4 — CID 26889665

IUPACN-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-12(23)21-15-7-9-18(26-2)16(11-15)22-19(25)10-8-17(24)13-3-5-14(20)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyBQWKUUYKNKASTJ-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.91
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide

N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 26889665) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID26889665
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-12(23)21-15-7-9-18(26-2)16(11-15)22-19(25)10-8-17(24)13-3-5-14(20)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyBQWKUUYKNKASTJ-UHFFFAOYSA-N
XLogP3.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 35347912
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
4-(4-chlorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
CID 32518368
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17481718
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide (CID 26889665) is N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide is COc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is BQWKUUYKNKASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-12(23)21-15-7-9-18(26-2)16(11-15)22-19(25)10-8-17(24)13-3-5-14(20)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 374.82 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 26889665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).