N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C15H16ClN3O3 — CID 135896939

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-8-11(15(21)18-9(2)17-8)7-14(20)19-10-4-5-13(22-3)12(16)6-10/h4-6H,7H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyDKTMQNYJIGPHBS-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.23
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135896939) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135896939
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-8-11(15(21)18-9(2)17-8)7-14(20)19-10-4-5-13(22-3)12(16)6-10/h4-6H,7H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyDKTMQNYJIGPHBS-UHFFFAOYSA-N
XLogP2.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135896922
N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898089
N-(2,5-dichlorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669983
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(2-benzylsulfanyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 136616173
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 137035193
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135896939) is N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is COc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is DKTMQNYJIGPHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-8-11(15(21)18-9(2)17-8)7-14(20)19-10-4-5-13(22-3)12(16)6-10/h4-6H,7H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 321.76 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135896939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).