2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide

C21H17N3O4 — CID 27662653

IUPAC2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17N3O4/c25-20(17-10-6-11-18(14-17)24(27)28)22-23-21(26)19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,22,25)(H,23,26)
InChIKeyALQJVCJRVVYDTM-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.26
Rot. Bonds5

About 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide

2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 27662653) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID27662653
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17N3O4/c25-20(17-10-6-11-18(14-17)24(27)28)22-23-21(26)19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,22,25)(H,23,26)
InChIKeyALQJVCJRVVYDTM-UHFFFAOYSA-N
XLogP3.26
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.26
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-benzyl-N'-(3-methylbenzoyl)benzohydrazide
CID 44594095
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N-benzyl-3-nitro(11C)benzamide
CID 71606846
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
CID 55334448
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555564
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
benzyl N-[(2S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 9033676
2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4942335
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide (CID 27662653) is 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is ALQJVCJRVVYDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-20(17-10-6-11-18(14-17)24(27)28)22-23-21(26)19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,22,25)(H,23,26).
What are the key properties of 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide?
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 375.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 27662653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).