N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide

C15H12BrN3O4 — CID 4811360

IUPACN'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12BrN3O4/c1-9-8-11(4-7-13(9)19(22)23)15(21)18-17-14(20)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyJJHNJVVZRYSCQB-UHFFFAOYSA-N
MW378.18 g/mol
LogP2.74
Rot. Bonds3

About N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide

N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide (PubChem CID 4811360) has the molecular formula C15H12BrN3O4 and a molecular weight of 378.18 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
PubChem CID4811360
Molecular FormulaC15H12BrN3O4
Molecular Weight378.18 g/mol
Exact Mass377.00
IUPAC NameN'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12BrN3O4/c1-9-8-11(4-7-13(9)19(22)23)15(21)18-17-14(20)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyJJHNJVVZRYSCQB-UHFFFAOYSA-N
XLogP2.74
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.74
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

3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116
N-[[(4-bromophenyl)sulfonylamino]carbamothioyl]-3-methyl-4-nitrobenzamide
CID 3996462
N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 7910668
1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea
CID 5201297
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 135683510
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methyl-4-nitrobenzamide
CID 103895543
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
1-(4-fluorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469568
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
1-(4-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469143
trans-(1R,2R)-2-[[(3-methyl-4-nitrobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 6949246

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide (CID 4811360) is N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide?
The InChIKey is JJHNJVVZRYSCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O4/c1-9-8-11(4-7-13(9)19(22)23)15(21)18-17-14(20)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide?
N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide has a molecular weight of 378.18 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide is sourced from PubChem (CID 4811360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).