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

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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).