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

C16H12ClN3O4 — CID 9314822

IUPACN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12ClN3O4/c17-13-3-1-2-11(10-13)4-9-15(21)18-19-16(22)12-5-7-14(8-6-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b9-4+
InChIKeyQMZBEEMMCVNJIS-RUDMXATFSA-N
MW345.74 g/mol
LogP2.72
Rot. Bonds4

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

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide (PubChem CID 9314822) 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]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
PubChem CID9314822
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12ClN3O4/c17-13-3-1-2-11(10-13)4-9-15(21)18-19-16(22)12-5-7-14(8-6-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b9-4+
InChIKeyQMZBEEMMCVNJIS-RUDMXATFSA-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-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9036377
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
4-nitro-N-[2-[[[(E)-3-phenylprop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 126006391
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide (CID 9314822) is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide is O=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The InChIKey is QMZBEEMMCVNJIS-RUDMXATFSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-13-3-1-2-11(10-13)4-9-15(21)18-19-16(22)12-5-7-14(8-6-12)20(23)24/h1-10H,(H,18,21)(H,19,22)/b9-4+.
What are the key properties of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
N'-[(E)-3-(3-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'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 9314822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).