N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide

C16H15FN2O4 — CID 921091

IUPACN'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2ccccc2F)c1OC
InChIInChI=1S/C16H15FN2O4/c1-22-13-9-5-7-11(14(13)23-2)16(21)19-18-15(20)10-6-3-4-8-12(10)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyRMGKTKFQHIDRNJ-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.92
Rot. Bonds4

About N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide

N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide (PubChem CID 921091) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
PubChem CID921091
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2ccccc2F)c1OC
InChIInChI=1S/C16H15FN2O4/c1-22-13-9-5-7-11(14(13)23-2)16(21)19-18-15(20)10-6-3-4-8-12(10)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyRMGKTKFQHIDRNJ-UHFFFAOYSA-N
XLogP1.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide (CID 921091) is N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)c2ccccc2F)c1OC.
What is the InChIKey of N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide?
The InChIKey is RMGKTKFQHIDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-22-13-9-5-7-11(14(13)23-2)16(21)19-18-15(20)10-6-3-4-8-12(10)17/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide?
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide has a molecular weight of 318.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide is sourced from PubChem (CID 921091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).