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

C16H12ClN3O4 — CID 6133004

IUPACN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClN3O4/c17-14-7-2-1-4-11(14)8-9-15(21)18-19-16(22)12-5-3-6-13(10-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b9-8+
InChIKeyRTHBWOSUWUNKLN-CMDGGOBGSA-N
MW345.74 g/mol
LogP2.72
Rot. Bonds4

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

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide (PubChem CID 6133004) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
PubChem CID6133004
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClN3O4/c17-14-7-2-1-4-11(14)8-9-15(21)18-19-16(22)12-5-3-6-13(10-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b9-8+
InChIKeyRTHBWOSUWUNKLN-CMDGGOBGSA-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'}

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Related Compounds

N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9334106
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
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'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide (CID 6133004) is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide is O=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The InChIKey is RTHBWOSUWUNKLN-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-14-7-2-1-4-11(14)8-9-15(21)18-19-16(22)12-5-3-6-13(10-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b9-8+.
What are the key properties of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
N'-[(E)-3-(2-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-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 6133004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).