N'-(3-methylphenyl)-2-nitrobenzohydrazide

C14H13N3O3 — CID 141479150

IUPACN'-(3-methylphenyl)-2-nitrobenzohydrazide
SMILESCc1cccc(NNC(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-10-5-4-6-11(9-10)15-16-14(18)12-7-2-3-8-13(12)17(19)20/h2-9,15H,1H3,(H,16,18)
InChIKeyHRXVTIVFMWEXKR-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.66
Rot. Bonds4

About N'-(3-methylphenyl)-2-nitrobenzohydrazide

N'-(3-methylphenyl)-2-nitrobenzohydrazide (PubChem CID 141479150) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-(3-methylphenyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-2-nitrobenzohydrazide
PubChem CID141479150
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN'-(3-methylphenyl)-2-nitrobenzohydrazide
SMILESCc1cccc(NNC(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-10-5-4-6-11(9-10)15-16-14(18)12-7-2-3-8-13(12)17(19)20/h2-9,15H,1H3,(H,16,18)
InChIKeyHRXVTIVFMWEXKR-UHFFFAOYSA-N
XLogP2.66
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-nitrobenzamide
CID 26164901
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide
CID 17397799
[(2-nitrobenzoyl)amino]urea
CID 61061190
2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535258
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-2-nitrobenzohydrazide?
The IUPAC name of N'-(3-methylphenyl)-2-nitrobenzohydrazide (CID 141479150) is N'-(3-methylphenyl)-2-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-methylphenyl)-2-nitrobenzohydrazide?
The canonical SMILES for N'-(3-methylphenyl)-2-nitrobenzohydrazide is Cc1cccc(NNC(=O)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N'-(3-methylphenyl)-2-nitrobenzohydrazide?
The InChIKey is HRXVTIVFMWEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-5-4-6-11(9-10)15-16-14(18)12-7-2-3-8-13(12)17(19)20/h2-9,15H,1H3,(H,16,18).
What are the key properties of N'-(3-methylphenyl)-2-nitrobenzohydrazide?
N'-(3-methylphenyl)-2-nitrobenzohydrazide has a molecular weight of 271.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 141479150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).