N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide

C16H12ClN3O4 — CID 4628576

IUPACN'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESO=C(C=Cc1ccccc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12ClN3O4/c17-14-4-2-1-3-11(14)7-10-15(21)18-19-16(22)12-5-8-13(9-6-12)20(23)24/h1-10H,(H,18,21)(H,19,22)
InChIKeyVHEIMWLIBWUVLV-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.72
Rot. Bonds4

About N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide

N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide (PubChem CID 4628576) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
PubChem CID4628576
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC NameN'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESO=C(C=Cc1ccccc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12ClN3O4/c17-14-4-2-1-3-11(14)7-10-15(21)18-19-16(22)12-5-8-13(9-6-12)20(23)24/h1-10H,(H,18,21)(H,19,22)
InChIKeyVHEIMWLIBWUVLV-UHFFFAOYSA-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'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]acetamide
CID 4506938
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126035920
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
(E)-3-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 6133641
3-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4508069
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide (CID 4628576) is N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide is O=C(C=Cc1ccccc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The InChIKey is VHEIMWLIBWUVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-14-4-2-1-3-11(14)7-10-15(21)18-19-16(22)12-5-8-13(9-6-12)20(23)24/h1-10H,(H,18,21)(H,19,22).
What are the key properties of N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-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'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 4628576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).