N'-acetyl-5-chloro-2-nitrobenzohydrazide

C9H8ClN3O4 — CID 60631017

IUPACN'-acetyl-5-chloro-2-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H8ClN3O4/c1-5(14)11-12-9(15)7-4-6(10)2-3-8(7)13(16)17/h2-4H,1H3,(H,11,14)(H,12,15)
InChIKeyRWQMOPAYBVPOKZ-UHFFFAOYSA-N
MW257.63 g/mol
LogP1.03
Rot. Bonds2

About N'-acetyl-5-chloro-2-nitrobenzohydrazide

N'-acetyl-5-chloro-2-nitrobenzohydrazide (PubChem CID 60631017) has the molecular formula C9H8ClN3O4 and a molecular weight of 257.63 g/mol. Its IUPAC name is N'-acetyl-5-chloro-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-chloro-2-nitrobenzohydrazide
PubChem CID60631017
Molecular FormulaC9H8ClN3O4
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC NameN'-acetyl-5-chloro-2-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H8ClN3O4/c1-5(14)11-12-9(15)7-4-6(10)2-3-8(7)13(16)17/h2-4H,1H3,(H,11,14)(H,12,15)
InChIKeyRWQMOPAYBVPOKZ-UHFFFAOYSA-N
XLogP1.03
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 51.03
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

N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
1-tert-butyl-3-[(5-chloro-2-nitrobenzoyl)amino]thiourea
CID 9088882
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
1-[(5-chloro-2-nitrobenzoyl)amino]-3-cyclopentylthiourea
CID 9090111
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 7910668
5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
CID 61216845
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-chloro-2-nitrobenzohydrazide?
The IUPAC name of N'-acetyl-5-chloro-2-nitrobenzohydrazide (CID 60631017) is N'-acetyl-5-chloro-2-nitrobenzohydrazide.
What is the SMILES notation for N'-acetyl-5-chloro-2-nitrobenzohydrazide?
The canonical SMILES for N'-acetyl-5-chloro-2-nitrobenzohydrazide is CC(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N'-acetyl-5-chloro-2-nitrobenzohydrazide?
The InChIKey is RWQMOPAYBVPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O4/c1-5(14)11-12-9(15)7-4-6(10)2-3-8(7)13(16)17/h2-4H,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-acetyl-5-chloro-2-nitrobenzohydrazide?
N'-acetyl-5-chloro-2-nitrobenzohydrazide has a molecular weight of 257.63 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-chloro-2-nitrobenzohydrazide is sourced from PubChem (CID 60631017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).