3-nitrosobenzamide

C7H6N2O2 — CID 1679

IUPAC3-nitrosobenzamide
SMILESNC(=O)c1cccc(N=O)c1
InChIInChI=1S/C7H6N2O2/c8-7(10)5-2-1-3-6(4-5)9-11/h1-4H,(H2,8,10)
InChIKeyOZUBORKYZRYLSQ-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.18
Rot. Bonds2

About 3-nitrosobenzamide

3-nitrosobenzamide (PubChem CID 1679) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-nitrosobenzamide.

Molecular Properties

Compound Name3-nitrosobenzamide
PubChem CID1679
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name3-nitrosobenzamide
SMILESNC(=O)c1cccc(N=O)c1
InChIInChI=1S/C7H6N2O2/c8-7(10)5-2-1-3-6(4-5)9-11/h1-4H,(H2,8,10)
InChIKeyOZUBORKYZRYLSQ-UHFFFAOYSA-N
XLogP1.18
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminobenzamide
CID 1645
3-Nitrobenzaldehyde
CID 7449
3,5-Dinitrobenzamide
CID 4511
Iniparib
CID 9796068
4-Aminobenzamide
CID 76079
m-Nitroacetophenone
CID 8494
Benzoyl chloride, 3-nitro-
CID 8495
4-Nitrobenzamide
CID 12091
3-Nitrobenzamide
CID 12576
2-Nitrobenzamide
CID 11876
3-Amino-4-methylbenzamide
CID 88043
3-Nitrobenzohydrazide
CID 3291498

Frequently Asked Questions

What is the IUPAC name of 3-nitrosobenzamide?
The IUPAC name of 3-nitrosobenzamide (CID 1679) is 3-nitrosobenzamide.
What is the SMILES notation for 3-nitrosobenzamide?
The canonical SMILES for 3-nitrosobenzamide is NC(=O)c1cccc(N=O)c1.
What is the InChIKey of 3-nitrosobenzamide?
The InChIKey is OZUBORKYZRYLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-7(10)5-2-1-3-6(4-5)9-11/h1-4H,(H2,8,10).
What are the key properties of 3-nitrosobenzamide?
3-nitrosobenzamide has a molecular weight of 150.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosobenzamide is sourced from PubChem (CID 1679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).