2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide

C15H13BrN4O4 — CID 9081549

IUPAC2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN4O4/c16-13-7-2-1-6-12(13)15(22)19-18-14(21)9-17-10-4-3-5-11(8-10)20(23)24/h1-8,17H,9H2,(H,18,21)(H,19,22)
InChIKeyKQQVVEIFGUBFDL-UHFFFAOYSA-N
MW393.20 g/mol
LogP2.23
Rot. Bonds5

About 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide

2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide (PubChem CID 9081549) has the molecular formula C15H13BrN4O4 and a molecular weight of 393.20 g/mol. Its IUPAC name is 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide
PubChem CID9081549
Molecular FormulaC15H13BrN4O4
Molecular Weight393.20 g/mol
Exact Mass392.01
IUPAC Name2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN4O4/c16-13-7-2-1-6-12(13)15(22)19-18-14(21)9-17-10-4-3-5-11(8-10)20(23)24/h1-8,17H,9H2,(H,18,21)(H,19,22)
InChIKeyKQQVVEIFGUBFDL-UHFFFAOYSA-N
XLogP2.23
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
1-(3-nitroanilino)propan-2-one
CID 141021170
N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
CID 154759918
N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
CID 113218646
2-bromo-N-[2-[(3-nitroanilino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 70866062
2-chloro-N-(3-nitrophenyl)acetamide;N-(2-hydroxyethyl)-2-(3-nitroanilino)acetamide
CID 87642861
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
2-bromo-5-(3-nitroanilino)benzoic acid
CID 115296074
N-methyl-2-(3-nitroanilino)-N-phenylacetamide
CID 9298118
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide (CID 9081549) is 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide is O=C(CNc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide?
The InChIKey is KQQVVEIFGUBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O4/c16-13-7-2-1-6-12(13)15(22)19-18-14(21)9-17-10-4-3-5-11(8-10)20(23)24/h1-8,17H,9H2,(H,18,21)(H,19,22).
What are the key properties of 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide?
2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide has a molecular weight of 393.20 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide is sourced from PubChem (CID 9081549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).