3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide

C14H9Cl2N3O4 — CID 3339172

IUPAC3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Cl2N3O4/c15-11-6-3-9(7-12(11)16)14(21)18-17-13(20)8-1-4-10(5-2-8)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyJZXULSUJZOSDIT-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.98
Rot. Bonds3

About 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide

3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide (PubChem CID 3339172) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
PubChem CID3339172
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Cl2N3O4/c15-11-6-3-9(7-12(11)16)14(21)18-17-13(20)8-1-4-10(5-2-8)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyJZXULSUJZOSDIT-UHFFFAOYSA-N
XLogP2.98
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.98
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

2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
CID 8668718
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 32712005

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
The IUPAC name of 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide (CID 3339172) is 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
The InChIKey is JZXULSUJZOSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c15-11-6-3-9(7-12(11)16)14(21)18-17-13(20)8-1-4-10(5-2-8)19(22)23/h1-7H,(H,17,20)(H,18,21).
What are the key properties of 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide?
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide has a molecular weight of 354.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3339172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).