N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide

C15H13ClN4O3 — CID 91522401

IUPACN-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide
SMILESCC(=O)N(C(=O)c1ccc(CN=O)cc1C)c1ncc(Cl)cn1
InChIInChI=1S/C15H13ClN4O3/c1-9-5-11(6-19-23)3-4-13(9)14(22)20(10(2)21)15-17-7-12(16)8-18-15/h3-5,7-8H,6H2,1-2H3
InChIKeyAHAYPAKVXXILPR-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.90
Rot. Bonds4

About N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide

N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide (PubChem CID 91522401) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide.

Molecular Properties

Compound NameN-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide
PubChem CID91522401
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC NameN-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide
SMILESCC(=O)N(C(=O)c1ccc(CN=O)cc1C)c1ncc(Cl)cn1
InChIInChI=1S/C15H13ClN4O3/c1-9-5-11(6-19-23)3-4-13(9)14(22)20(10(2)21)15-17-7-12(16)8-18-15/h3-5,7-8H,6H2,1-2H3
InChIKeyAHAYPAKVXXILPR-UHFFFAOYSA-N
XLogP2.90
TPSA92.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide?
The IUPAC name of N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide (CID 91522401) is N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide.
What is the SMILES notation for N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide?
The canonical SMILES for N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide is CC(=O)N(C(=O)c1ccc(CN=O)cc1C)c1ncc(Cl)cn1.
What is the InChIKey of N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide?
The InChIKey is AHAYPAKVXXILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-9-5-11(6-19-23)3-4-13(9)14(22)20(10(2)21)15-17-7-12(16)8-18-15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide?
N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide has a molecular weight of 332.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-chloropyrimidin-2-yl)-2-methyl-4-(nitrosomethyl)benzamide is sourced from PubChem (CID 91522401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).