2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide

C17H14BrFN2O2 — CID 103598513

IUPAC2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide
SMILESCC(=CC(=O)NNC(=O)c1ccccc1Br)c1ccccc1F
InChIInChI=1S/C17H14BrFN2O2/c1-11(12-6-3-5-9-15(12)19)10-16(22)20-21-17(23)13-7-2-4-8-14(13)18/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyKIWLCCRKSSGSDX-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide

2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide (PubChem CID 103598513) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide
PubChem CID103598513
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide
SMILESCC(=CC(=O)NNC(=O)c1ccccc1Br)c1ccccc1F
InChIInChI=1S/C17H14BrFN2O2/c1-11(12-6-3-5-9-15(12)19)10-16(22)20-21-17(23)13-7-2-4-8-14(13)18/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyKIWLCCRKSSGSDX-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-3-(2-fluorophenyl)but-2-enoic acid
CID 28791499
N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide
CID 46652348
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
CID 6013499
3-fluoro-N-[2-[[(E)-3-(2-fluorophenyl)but-2-enoyl]amino]ethyl]-4-methylbenzamide
CID 97435173
(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide
CID 86836437
2-bromo-N-(2,2-dichloroethenyl)benzamide
CID 171776552
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779
3-(2-fluorophenyl)-N-(1-pyridin-4-ylethyl)but-2-enamide
CID 103598516
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide (CID 103598513) is 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide is CC(=CC(=O)NNC(=O)c1ccccc1Br)c1ccccc1F.
What is the InChIKey of 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide?
The InChIKey is KIWLCCRKSSGSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c1-11(12-6-3-5-9-15(12)19)10-16(22)20-21-17(23)13-7-2-4-8-14(13)18/h2-10H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide?
2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide has a molecular weight of 377.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide is sourced from PubChem (CID 103598513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).