1-(2-fluorobenzoyl)indole-3-carbohydrazide

C16H12FN3O2 — CID 91690349

IUPAC1-(2-fluorobenzoyl)indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)c2ccccc2F)c2ccccc12
InChIInChI=1S/C16H12FN3O2/c17-13-7-3-1-6-11(13)16(22)20-9-12(15(21)19-18)10-5-2-4-8-14(10)20/h1-9H,18H2,(H,19,21)
InChIKeyLBTOEZGBGGBFPN-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-fluorobenzoyl)indole-3-carbohydrazide

1-(2-fluorobenzoyl)indole-3-carbohydrazide (PubChem CID 91690349) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)indole-3-carbohydrazide
PubChem CID91690349
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name1-(2-fluorobenzoyl)indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)c2ccccc2F)c2ccccc12
InChIInChI=1S/C16H12FN3O2/c17-13-7-3-1-6-11(13)16(22)20-9-12(15(21)19-18)10-5-2-4-8-14(10)20/h1-9H,18H2,(H,19,21)
InChIKeyLBTOEZGBGGBFPN-UHFFFAOYSA-N
XLogP2.07
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690338
1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
CID 99965957
1-propanoylindole-3-carbohydrazide
CID 91690174
1-(2-fluorobenzoyl)indole-3-carbonitrile
CID 82122318
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817354
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
1-(2-bromobenzoyl)indole-3-carboxamide
CID 91690367
1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817382
1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide
CID 91690734
1-[2-(4-bromophenoxy)-2-methylpropanoyl]indole-3-carbohydrazide
CID 99971117
(3-methylindol-1-yl)-(2-methylphenyl)methanone
CID 101389123
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)indole-3-carbohydrazide?
The IUPAC name of 1-(2-fluorobenzoyl)indole-3-carbohydrazide (CID 91690349) is 1-(2-fluorobenzoyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-(2-fluorobenzoyl)indole-3-carbohydrazide?
The canonical SMILES for 1-(2-fluorobenzoyl)indole-3-carbohydrazide is NNC(=O)c1cn(C(=O)c2ccccc2F)c2ccccc12.
What is the InChIKey of 1-(2-fluorobenzoyl)indole-3-carbohydrazide?
The InChIKey is LBTOEZGBGGBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-7-3-1-6-11(13)16(22)20-9-12(15(21)19-18)10-5-2-4-8-14(10)20/h1-9H,18H2,(H,19,21).
What are the key properties of 1-(2-fluorobenzoyl)indole-3-carbohydrazide?
1-(2-fluorobenzoyl)indole-3-carbohydrazide has a molecular weight of 297.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)indole-3-carbohydrazide is sourced from PubChem (CID 91690349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).