4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide

C16H12BrN3O4 — CID 26912181

IUPAC4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O4/c17-13-8-5-12(6-9-13)16(22)19-18-15(21)10-7-11-3-1-2-4-14(11)20(23)24/h1-10H,(H,18,21)(H,19,22)/b10-7+
InChIKeyBOBVSYSHWCIYII-JXMROGBWSA-N
MW390.19 g/mol
LogP2.83
Rot. Bonds4

About 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide

4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide (PubChem CID 26912181) has the molecular formula C16H12BrN3O4 and a molecular weight of 390.19 g/mol. Its IUPAC name is 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
PubChem CID26912181
Molecular FormulaC16H12BrN3O4
Molecular Weight390.19 g/mol
Exact Mass389.00
IUPAC Name4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O4/c17-13-8-5-12(6-9-13)16(22)19-18-15(21)10-7-11-3-1-2-4-14(11)20(23)24/h1-10H,(H,18,21)(H,19,22)/b10-7+
InChIKeyBOBVSYSHWCIYII-JXMROGBWSA-N
XLogP2.83
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 52.83
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

1-(4-bromophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 4811006
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
4-bromo-N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
CID 92652533
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
1-tert-butyl-3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 9425502
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102820535
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 8935588

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide (CID 26912181) is 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is BOBVSYSHWCIYII-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12BrN3O4/c17-13-8-5-12(6-9-13)16(22)19-18-15(21)10-7-11-3-1-2-4-14(11)20(23)24/h1-10H,(H,18,21)(H,19,22)/b10-7+.
What are the key properties of 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide?
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 390.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 26912181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).