4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide

C16H16ClN3O4 — CID 136782524

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C16H16ClN3O4/c1-9-18-14(8-16(23)19-9)20-15(22)6-4-12(21)11-7-10(17)3-5-13(11)24-2/h3,5,7-8H,4,6H2,1-2H3,(H2,18,19,20,22,23)
InChIKeyLLPFWMJWCOJVEC-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.34
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 136782524) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide
PubChem CID136782524
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C16H16ClN3O4/c1-9-18-14(8-16(23)19-9)20-15(22)6-4-12(21)11-7-10(17)3-5-13(11)24-2/h3,5,7-8H,4,6H2,1-2H3,(H2,18,19,20,22,23)
InChIKeyLLPFWMJWCOJVEC-UHFFFAOYSA-N
XLogP2.34
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249
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-methoxy-5-nitrophenyl)-4-oxobutanamide
CID 108797085
methyl 3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 108745871
4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide
CID 108740247
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide (CID 136782524) is 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is LLPFWMJWCOJVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-9-18-14(8-16(23)19-9)20-15(22)6-4-12(21)11-7-10(17)3-5-13(11)24-2/h3,5,7-8H,4,6H2,1-2H3,(H2,18,19,20,22,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 349.77 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 136782524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).