2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide

C19H22FN3O2S — CID 142366380

IUPAC2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNSC2CN(CCO)C2)c1F
InChIInChI=1S/C19H22FN3O2S/c1-13-9-15(14-5-3-2-4-6-14)10-17(18(13)20)19(25)21-22-26-16-11-23(12-16)7-8-24/h2-6,9-10,16,22,24H,7-8,11-12H2,1H3,(H,21,25)
InChIKeyUSKGMJQSFXVOBL-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.36
Rot. Bonds7

About 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide

2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide (PubChem CID 142366380) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
PubChem CID142366380
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNSC2CN(CCO)C2)c1F
InChIInChI=1S/C19H22FN3O2S/c1-13-9-15(14-5-3-2-4-6-14)10-17(18(13)20)19(25)21-22-26-16-11-23(12-16)7-8-24/h2-6,9-10,16,22,24H,7-8,11-12H2,1H3,(H,21,25)
InChIKeyUSKGMJQSFXVOBL-UHFFFAOYSA-N
XLogP2.36
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide (CID 142366380) is 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNSC2CN(CCO)C2)c1F.
What is the InChIKey of 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide?
The InChIKey is USKGMJQSFXVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-13-9-15(14-5-3-2-4-6-14)10-17(18(13)20)19(25)21-22-26-16-11-23(12-16)7-8-24/h2-6,9-10,16,22,24H,7-8,11-12H2,1H3,(H,21,25).
What are the key properties of 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide?
2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide has a molecular weight of 375.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 142366380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).