N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide

C22H19N3O4 — CID 4023612

IUPACN'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H19N3O4/c26-21(23-24-22(27)18-12-7-13-19(14-18)25(28)29)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,23,26)(H,24,27)
InChIKeyAAMHKQIAQNNPGW-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.58
Rot. Bonds6

About N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide

N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide (PubChem CID 4023612) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
PubChem CID4023612
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H19N3O4/c26-21(23-24-22(27)18-12-7-13-19(14-18)25(28)29)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,23,26)(H,24,27)
InChIKeyAAMHKQIAQNNPGW-UHFFFAOYSA-N
XLogP3.58
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.58
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

N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
methyl (3R)-3-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 40856388
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-nitro-N-[[(3-nitrobenzoyl)amino]-(3-nitrophenyl)methyl]benzamide
CID 3606641
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 27662653
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide (CID 4023612) is N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide is O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide?
The InChIKey is AAMHKQIAQNNPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21(23-24-22(27)18-12-7-13-19(14-18)25(28)29)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,23,26)(H,24,27).
What are the key properties of N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide?
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide has a molecular weight of 389.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 4023612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).