N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide

C16H13BrN2O2 — CID 5369633

IUPACN'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESO=C(/C=C\NNC(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O2/c17-14-8-4-7-13(11-14)15(20)9-10-18-19-16(21)12-5-2-1-3-6-12/h1-11,18H,(H,19,21)/b10-9-
InChIKeyVDIJUYRDVDENAL-KTKRTIGZSA-N
MW345.20 g/mol
LogP3.08
Rot. Bonds5

About N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide

N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide (PubChem CID 5369633) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
PubChem CID5369633
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESO=C(/C=C\NNC(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O2/c17-14-8-4-7-13(11-14)15(20)9-10-18-19-16(21)12-5-2-1-3-6-12/h1-11,18H,(H,19,21)/b10-9-
InChIKeyVDIJUYRDVDENAL-KTKRTIGZSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzoyl-3-bromobenzamide
CID 118577200
4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
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1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2806204
1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one chloride
CID 73449206
(E)-1-(3-bromophenyl)-3-[4-(dimethylamino)anilino]prop-2-en-1-one
CID 126063095
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one
CID 139259982
1-(3-bromophenyl)-5,5-dichloropenta-2,4-dien-1-one
CID 71346907
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide?
The IUPAC name of N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide (CID 5369633) is N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide.
What is the SMILES notation for N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide?
The canonical SMILES for N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide is O=C(/C=C\NNC(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide?
The InChIKey is VDIJUYRDVDENAL-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-14-8-4-7-13(11-14)15(20)9-10-18-19-16(21)12-5-2-1-3-6-12/h1-11,18H,(H,19,21)/b10-9-.
What are the key properties of N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide?
N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide has a molecular weight of 345.20 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide is sourced from PubChem (CID 5369633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).