N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide

C14H9ClN4O6 — CID 4508937

IUPACN'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClN4O6/c15-12-4-2-1-3-11(12)14(21)17-16-13(20)8-5-9(18(22)23)7-10(6-8)19(24)25/h1-7H,(H,16,20)(H,17,21)
InChIKeyDDRDUVPNVOKULS-UHFFFAOYSA-N
MW364.70 g/mol
LogP2.23
Rot. Bonds4

About N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide

N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide (PubChem CID 4508937) has the molecular formula C14H9ClN4O6 and a molecular weight of 364.70 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
PubChem CID4508937
Molecular FormulaC14H9ClN4O6
Molecular Weight364.70 g/mol
Exact Mass364.02
IUPAC NameN'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClN4O6/c15-12-4-2-1-3-11(12)14(21)17-16-13(20)8-5-9(18(22)23)7-10(6-8)19(24)25/h1-7H,(H,16,20)(H,17,21)
InChIKeyDDRDUVPNVOKULS-UHFFFAOYSA-N
XLogP2.23
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
CID 17386817
2-chloro-N'-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535685
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
CID 4878023

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide (CID 4508937) is N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide?
The InChIKey is DDRDUVPNVOKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O6/c15-12-4-2-1-3-11(12)14(21)17-16-13(20)8-5-9(18(22)23)7-10(6-8)19(24)25/h1-7H,(H,16,20)(H,17,21).
What are the key properties of N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide?
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide has a molecular weight of 364.70 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 4508937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).