N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide

C15H14ClN3O4 — CID 67133377

IUPACN-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
SMILESCOc1cc(OC)nc(C(=O)c2cccc(Cl)c2NC(C)=O)n1
InChIInChI=1S/C15H14ClN3O4/c1-8(20)17-13-9(5-4-6-10(13)16)14(21)15-18-11(22-2)7-12(19-15)23-3/h4-7H,1-3H3,(H,17,20)
InChIKeyMKRZZYZZILMZEL-UHFFFAOYSA-N
MW335.75 g/mol
LogP2.34
Rot. Bonds5

About N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide

N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide (PubChem CID 67133377) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
PubChem CID67133377
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC NameN-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
SMILESCOc1cc(OC)nc(C(=O)c2cccc(Cl)c2NC(C)=O)n1
InChIInChI=1S/C15H14ClN3O4/c1-8(20)17-13-9(5-4-6-10(13)16)14(21)15-18-11(22-2)7-12(19-15)23-3/h4-7H,1-3H3,(H,17,20)
InChIKeyMKRZZYZZILMZEL-UHFFFAOYSA-N
XLogP2.34
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide 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

(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide
CID 130011916
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 708347
2-chlorobenzoic acid;4,6-dimethoxypyrimidin-2-amine
CID 139146085
(4,6-dimethoxypyrimidin-2-yl)-(3-ethyl-2-nitrophenyl)methanone
CID 18417992
N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
CID 171834940
3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide
CID 18462479
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate
CID 139627836
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide (CID 67133377) is N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide is COc1cc(OC)nc(C(=O)c2cccc(Cl)c2NC(C)=O)n1.
What is the InChIKey of N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide?
The InChIKey is MKRZZYZZILMZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-8(20)17-13-9(5-4-6-10(13)16)14(21)15-18-11(22-2)7-12(19-15)23-3/h4-7H,1-3H3,(H,17,20).
What are the key properties of N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide?
N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide has a molecular weight of 335.75 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 67133377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).