3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide

C16H15N3O2 — CID 91169409

IUPAC3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
SMILESCc1cccc(C(=O)NN=C(CN=O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-12-6-5-9-14(10-12)16(20)19-18-15(11-17-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLGXMJLJRNZZEPV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.90
Rot. Bonds5

About 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide

3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide (PubChem CID 91169409) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
PubChem CID91169409
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
SMILESCc1cccc(C(=O)NN=C(CN=O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-12-6-5-9-14(10-12)16(20)19-18-15(11-17-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLGXMJLJRNZZEPV-UHFFFAOYSA-N
XLogP2.90
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide
CID 91076214
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
CID 90867123
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
The IUPAC name of 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide (CID 91169409) is 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide.
What is the SMILES notation for 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
The canonical SMILES for 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide is Cc1cccc(C(=O)NN=C(CN=O)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
The InChIKey is LGXMJLJRNZZEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-6-5-9-14(10-12)16(20)19-18-15(11-17-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide is sourced from PubChem (CID 91169409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).