N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide

C22H17N3O4 — CID 26253538

IUPACN'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O4/c26-21(15-8-16-6-13-20(14-7-16)25(28)29)23-24-22(27)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H,(H,23,26)(H,24,27)/b15-8+
InChIKeyIOGOJIZKORTBHC-OVCLIPMQSA-N
MW387.40 g/mol
LogP3.74
Rot. Bonds5

About N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide

N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide (PubChem CID 26253538) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
PubChem CID26253538
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O4/c26-21(15-8-16-6-13-20(14-7-16)25(28)29)23-24-22(27)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H,(H,23,26)(H,24,27)/b15-8+
InChIKeyIOGOJIZKORTBHC-OVCLIPMQSA-N
XLogP3.74
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[2-[[[(E)-3-phenylprop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 126006391
4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9036377
[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126035920
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-hexoxy-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17187078
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
3-nitro-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9333456

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide (CID 26253538) is N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide?
The InChIKey is IOGOJIZKORTBHC-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-21(15-8-16-6-13-20(14-7-16)25(28)29)23-24-22(27)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H,(H,23,26)(H,24,27)/b15-8+.
What are the key properties of N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide?
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide has a molecular weight of 387.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 26253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).