N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide

C21H16BrFN2O3 — CID 17387628

IUPACN'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C21H16BrFN2O3/c22-17-6-2-4-8-19(17)28-13-14-9-11-15(12-10-14)20(26)24-25-21(27)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyZCESWIRBDSVSLB-UHFFFAOYSA-N
MW443.27 g/mol
LogP4.24
Rot. Bonds5

About N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide

N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide (PubChem CID 17387628) has the molecular formula C21H16BrFN2O3 and a molecular weight of 443.27 g/mol. Its IUPAC name is N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
PubChem CID17387628
Molecular FormulaC21H16BrFN2O3
Molecular Weight443.27 g/mol
Exact Mass442.03
IUPAC NameN'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C21H16BrFN2O3/c22-17-6-2-4-8-19(17)28-13-14-9-11-15(12-10-14)20(26)24-25-21(27)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyZCESWIRBDSVSLB-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 18289024
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
CID 4617873
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-bromophenoxy)methyl]benzamide
CID 19287458
1-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-3-(2-ethoxyphenyl)thiourea
CID 19581748
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 1039541
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide (CID 17387628) is N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
The InChIKey is ZCESWIRBDSVSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O3/c22-17-6-2-4-8-19(17)28-13-14-9-11-15(12-10-14)20(26)24-25-21(27)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide has a molecular weight of 443.27 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 17387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).