2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide

C14H14N4O3 — CID 107810341

IUPAC2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2NN)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-9-11(7-4-8-13(9)18(20)21)16-14(19)10-5-2-3-6-12(10)17-15/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyLEYKIBNSCHBCQD-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.44
Rot. Bonds4

About 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide

2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 107810341) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID107810341
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2NN)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-9-11(7-4-8-13(9)18(20)21)16-14(19)10-5-2-3-6-12(10)17-15/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyLEYKIBNSCHBCQD-UHFFFAOYSA-N
XLogP2.44
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
(2-methyl-3-nitrophenyl)urea
CID 22416531
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
5-amino-2-bromo-N-(2-methyl-3-nitrophenyl)benzamide
CID 115297130
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
N-(2-methyl-3-nitrophenyl)-1-oxoisochromene-4-carboxamide
CID 4183426
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide (CID 107810341) is 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccccc2NN)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is LEYKIBNSCHBCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-11(7-4-8-13(9)18(20)21)16-14(19)10-5-2-3-6-12(10)17-15/h2-8,17H,15H2,1H3,(H,16,19).
What are the key properties of 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide?
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 286.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 107810341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).