N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide

C17H15N3O5 — CID 26534157

IUPACN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H15N3O5/c1-25-15-7-2-4-12(10-15)8-9-16(21)18-19-17(22)13-5-3-6-14(11-13)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)/b9-8+
InChIKeySSLVTAQKIYDNHU-CMDGGOBGSA-N
MW341.32 g/mol
LogP2.08
Rot. Bonds5

About N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide

N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide (PubChem CID 26534157) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
PubChem CID26534157
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H15N3O5/c1-25-15-7-2-4-12(10-15)8-9-16(21)18-19-17(22)13-5-3-6-14(11-13)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)/b9-8+
InChIKeySSLVTAQKIYDNHU-CMDGGOBGSA-N
XLogP2.08
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.08
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'}

Analyze N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
3-iodo-4-methoxy-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17176085
3-(dimethylamino)-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 30485890
N'-[3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]-3-nitrobenzohydrazide
CID 55486432
N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9334106
1-(3-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 5105383
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
CID 26641259
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9036377
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-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide (CID 26534157) is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide is COc1cccc(/C=C/C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The InChIKey is SSLVTAQKIYDNHU-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-25-15-7-2-4-12(10-15)8-9-16(21)18-19-17(22)13-5-3-6-14(11-13)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)/b9-8+.
What are the key properties of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide has a molecular weight of 341.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 26534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).