4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide

C22H17N3O5 — CID 9036377

IUPAC4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17N3O5/c26-21(23-24-22(27)17-10-12-18(13-11-17)25(28)29)14-9-16-5-4-8-20(15-16)30-19-6-2-1-3-7-19/h1-15H,(H,23,26)(H,24,27)/b14-9+
InChIKeyYMDVPNURYZYZTF-NTEUORMPSA-N
MW403.39 g/mol
LogP3.86
Rot. Bonds6

About 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide

4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9036377) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9036377
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17N3O5/c26-21(23-24-22(27)17-10-12-18(13-11-17)25(28)29)14-9-16-5-4-8-20(15-16)30-19-6-2-1-3-7-19/h1-15H,(H,23,26)(H,24,27)/b14-9+
InChIKeyYMDVPNURYZYZTF-NTEUORMPSA-N
XLogP3.86
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126035920
4-nitro-N-[2-[[[(E)-3-phenylprop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 126006391
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
(E)-3-(3-nitrophenyl)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 17176458
3-iodo-4-methoxy-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17176085

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide (CID 9036377) is 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is YMDVPNURYZYZTF-NTEUORMPSA-N. The full InChI is InChI=1S/C22H17N3O5/c26-21(23-24-22(27)17-10-12-18(13-11-17)25(28)29)14-9-16-5-4-8-20(15-16)30-19-6-2-1-3-7-19/h1-15H,(H,23,26)(H,24,27)/b14-9+.
What are the key properties of 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide?
4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 403.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9036377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).