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

C16H12ClN3O4 — CID 8713168

IUPACN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClN3O4/c17-13-5-1-3-11(9-13)7-8-15(21)18-19-16(22)12-4-2-6-14(10-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b8-7+
InChIKeyKHLHCWRCCCYDOR-BQYQJAHWSA-N
MW345.74 g/mol
LogP2.72
Rot. Bonds4

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

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide (PubChem CID 8713168) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
PubChem CID8713168
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClN3O4/c17-13-5-1-3-11(9-13)7-8-15(21)18-19-16(22)12-4-2-6-14(10-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b8-7+
InChIKeyKHLHCWRCCCYDOR-BQYQJAHWSA-N
XLogP2.72
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.72
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'}

Analyze N'-[(E)-3-(3-chlorophenyl)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

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
3-(dimethylamino)-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 30485890
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
3-nitro-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9333456
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128
3-iodo-4-methoxy-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17176085

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide (CID 8713168) is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide is O=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The InChIKey is KHLHCWRCCCYDOR-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-13-5-1-3-11(9-13)7-8-15(21)18-19-16(22)12-4-2-6-14(10-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b8-7+.
What are the key properties of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide has a molecular weight of 345.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 8713168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).