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'}

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Related Compounds

2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
tert-butyl 4-[2-(2-fluoro-3-methyl-5-phenylbenzoyl)hydrazinyl]sulfanylpiperidine-1-carboxylate
CID 142366186
2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
CID 134581287
N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581329
N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581312
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224
2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide
CID 142366221
N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581313
1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
CID 167709101
tert-butyl 4-[[2-[2-fluoro-5-(3-fluorophenyl)-3-methylbenzoyl]hydrazinyl]sulfanylmethyl]piperidine-1-carboxylate
CID 142366256
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 167555981
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 167641470

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).