N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide

C21H15FN2O3 — CID 4687348

IUPACN'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide
SMILESO=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O3/c22-14-11-9-13(10-12-14)20(25)23-24-21(26)19-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)19/h1-12,19H,(H,23,25)(H,24,26)
InChIKeyGDMARUOEZRZSIP-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.52
Rot. Bonds2

About N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide

N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide (PubChem CID 4687348) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide
PubChem CID4687348
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC NameN'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide
SMILESO=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O3/c22-14-11-9-13(10-12-14)20(25)23-24-21(26)19-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)19/h1-12,19H,(H,23,25)(H,24,26)
InChIKeyGDMARUOEZRZSIP-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.52
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

N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 46540225
N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946608
4-(4-fluorophenyl)-3-[(9S)-2-fluoro-9H-xanthen-9-yl]-4-hydroxybut-3-en-2-one
CID 6855988
(1R,6R)-3,4-dimethyl-6-[(9H-xanthene-9-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7309915
(2S)-1-(4-fluorophenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione
CID 1167366
N'-[2-(1-adamantyl)acetyl]-9H-xanthene-9-carbohydrazide
CID 7917901
N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
CID 7927585
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
CID 55538263
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
methyl 4-(4-fluorophenyl)-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CID 4173417
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide (CID 4687348) is N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide is O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide?
The InChIKey is GDMARUOEZRZSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-14-11-9-13(10-12-14)20(25)23-24-21(26)19-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)19/h1-12,19H,(H,23,25)(H,24,26).
What are the key properties of N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide?
N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide has a molecular weight of 362.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide is sourced from PubChem (CID 4687348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).