N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide

C15H11Cl2N3O4 — CID 7910668

IUPACN'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2N3O4/c1-8-6-9(2-5-13(8)20(23)24)14(21)18-19-15(22)11-7-10(16)3-4-12(11)17/h2-7H,1H3,(H,18,21)(H,19,22)
InChIKeyZRJAQOGARMGOFZ-UHFFFAOYSA-N
MW368.18 g/mol
LogP3.28
Rot. Bonds3

About N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide

N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide (PubChem CID 7910668) has the molecular formula C15H11Cl2N3O4 and a molecular weight of 368.18 g/mol. Its IUPAC name is N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
PubChem CID7910668
Molecular FormulaC15H11Cl2N3O4
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC NameN'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2N3O4/c1-8-6-9(2-5-13(8)20(23)24)14(21)18-19-15(22)11-7-10(16)3-4-12(11)17/h2-7H,1H3,(H,18,21)(H,19,22)
InChIKeyZRJAQOGARMGOFZ-UHFFFAOYSA-N
XLogP3.28
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 53.28
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

1-(4-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469143
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea
CID 5201297
N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 4811360
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 4783926
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 2557905
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 4512622
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
5-chloro-2-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 45433922
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide?
The IUPAC name of N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide (CID 7910668) is N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide?
The InChIKey is ZRJAQOGARMGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4/c1-8-6-9(2-5-13(8)20(23)24)14(21)18-19-15(22)11-7-10(16)3-4-12(11)17/h2-7H,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide?
N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide has a molecular weight of 368.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide is sourced from PubChem (CID 7910668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).