N-(nitrosomethyl)benzamide

C8H8N2O2 — CID 91609331

IUPACN-(nitrosomethyl)benzamide
SMILESO=NCNC(=O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c11-8(9-6-10-12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
InChIKeyMAXSYJZXJJLVQF-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.14
Rot. Bonds3

About N-(nitrosomethyl)benzamide

N-(nitrosomethyl)benzamide (PubChem CID 91609331) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is N-(nitrosomethyl)benzamide.

Molecular Properties

Compound NameN-(nitrosomethyl)benzamide
PubChem CID91609331
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC NameN-(nitrosomethyl)benzamide
SMILESO=NCNC(=O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c11-8(9-6-10-12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
InChIKeyMAXSYJZXJJLVQF-UHFFFAOYSA-N
XLogP1.14
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylbenzamide
CID 160772566
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-ethylbenzamide;hydrochloride
CID 57444995
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
2-[bis(benzamidomethyl)amino]acetic acid
CID 12052296
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
benzohydrazide;molybdenum
CID 162076561
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-(2-sulfonylethyl)benzamide
CID 151291647
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
N-(methylsulfonylmethyl)benzamide
CID 66878080

Frequently Asked Questions

What is the IUPAC name of N-(nitrosomethyl)benzamide?
The IUPAC name of N-(nitrosomethyl)benzamide (CID 91609331) is N-(nitrosomethyl)benzamide.
What is the SMILES notation for N-(nitrosomethyl)benzamide?
The canonical SMILES for N-(nitrosomethyl)benzamide is O=NCNC(=O)c1ccccc1.
What is the InChIKey of N-(nitrosomethyl)benzamide?
The InChIKey is MAXSYJZXJJLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(9-6-10-12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11).
What are the key properties of N-(nitrosomethyl)benzamide?
N-(nitrosomethyl)benzamide has a molecular weight of 164.16 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(nitrosomethyl)benzamide is sourced from PubChem (CID 91609331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).