N-methyl-3-nitrosobenzamide

C8H8N2O2 — CID 89195541

IUPACN-methyl-3-nitrosobenzamide
SMILESCNC(=O)c1cccc(N=O)c1
InChIInChI=1S/C8H8N2O2/c1-9-8(11)6-3-2-4-7(5-6)10-12/h2-5H,1H3,(H,9,11)
InChIKeyAVWDHQLQLMUHKW-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-3-nitrosobenzamide

N-methyl-3-nitrosobenzamide (PubChem CID 89195541) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is N-methyl-3-nitrosobenzamide.

Molecular Properties

Compound NameN-methyl-3-nitrosobenzamide
PubChem CID89195541
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC NameN-methyl-3-nitrosobenzamide
SMILESCNC(=O)c1cccc(N=O)c1
InChIInChI=1S/C8H8N2O2/c1-9-8(11)6-3-2-4-7(5-6)10-12/h2-5H,1H3,(H,9,11)
InChIKeyAVWDHQLQLMUHKW-UHFFFAOYSA-N
XLogP1.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-nitrosobenzamide
CID 89096662
N-methylbenzamide
CID 11954
3-ethyl-N-methylbenzamide
CID 59115297
3-[iodo(methyl)amino]-N-methylbenzamide
CID 146943364
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-methyl-3-[methyl(sulfanyl)amino]benzamide
CID 175836337
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758541
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitrosobenzamide?
The IUPAC name of N-methyl-3-nitrosobenzamide (CID 89195541) is N-methyl-3-nitrosobenzamide.
What is the SMILES notation for N-methyl-3-nitrosobenzamide?
The canonical SMILES for N-methyl-3-nitrosobenzamide is CNC(=O)c1cccc(N=O)c1.
What is the InChIKey of N-methyl-3-nitrosobenzamide?
The InChIKey is AVWDHQLQLMUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-9-8(11)6-3-2-4-7(5-6)10-12/h2-5H,1H3,(H,9,11).
What are the key properties of N-methyl-3-nitrosobenzamide?
N-methyl-3-nitrosobenzamide has a molecular weight of 164.16 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitrosobenzamide is sourced from PubChem (CID 89195541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).