N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide

C13H12FN3O3 — CID 78836860

IUPACN'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(F)cc1C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C13H12FN3O3/c1-20-11-5-4-8(14)7-9(11)12(18)16-17-13(19)10-3-2-6-15-10/h2-7,15H,1H3,(H,16,18)(H,17,19)
InChIKeyIRWAUOOIDIOSNX-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.24
Rot. Bonds3

About N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide

N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78836860) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78836860
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(F)cc1C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C13H12FN3O3/c1-20-11-5-4-8(14)7-9(11)12(18)16-17-13(19)10-3-2-6-15-10/h2-7,15H,1H3,(H,16,18)(H,17,19)
InChIKeyIRWAUOOIDIOSNX-UHFFFAOYSA-N
XLogP1.24
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31116513
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 39977758
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78829676
N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78813077
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide (CID 78836860) is N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide is COc1ccc(F)cc1C(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is IRWAUOOIDIOSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-20-11-5-4-8(14)7-9(11)12(18)16-17-13(19)10-3-2-6-15-10/h2-7,15H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 277.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78836860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).