5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide

C23H26Cl2FN3O3S — CID 144850240

IUPAC5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide
SMILESCSN(O)NC(=O)c1cc(C2CC2)c(CN2CCOC(Cc3cc(Cl)cc(Cl)c3)C2)cc1F
InChIInChI=1S/C23H26Cl2FN3O3S/c1-33-29(31)27-23(30)21-11-20(15-2-3-15)16(9-22(21)26)12-28-4-5-32-19(13-28)8-14-6-17(24)10-18(25)7-14/h6-7,9-11,15,19,31H,2-5,8,12-13H2,1H3,(H,27,30)
InChIKeyWSGCHWIFCLSNCA-UHFFFAOYSA-N
MW514.45 g/mol
LogP5.07
Rot. Bonds8

About 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide

5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide (PubChem CID 144850240) has the molecular formula C23H26Cl2FN3O3S and a molecular weight of 514.45 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide
PubChem CID144850240
Molecular FormulaC23H26Cl2FN3O3S
Molecular Weight514.45 g/mol
Exact Mass513.11
IUPAC Name5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide
SMILESCSN(O)NC(=O)c1cc(C2CC2)c(CN2CCOC(Cc3cc(Cl)cc(Cl)c3)C2)cc1F
InChIInChI=1S/C23H26Cl2FN3O3S/c1-33-29(31)27-23(30)21-11-20(15-2-3-15)16(9-22(21)26)12-28-4-5-32-19(13-28)8-14-6-17(24)10-18(25)7-14/h6-7,9-11,15,19,31H,2-5,8,12-13H2,1H3,(H,27,30)
InChIKeyWSGCHWIFCLSNCA-UHFFFAOYSA-N
XLogP5.07
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[[2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid;hydrochloride
CID 118111239
4-[[(2R)-2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 118110538
5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118353569
5-cyclopropyl-2-fluoro-4-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-N'-hydroxy-N'-methylsulfanylbenzohydrazide
CID 144850376
5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide
CID 118120457
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 117045082
5-cyclopropyl-4-[[4-(3,5-dichlorophenoxy)sulfonylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 146462015
5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide
CID 144850650
2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol
CID 77087045
2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine
CID 174270485
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
acetic acid;N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[[4-(3,5-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 162329191

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide?
The IUPAC name of 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide (CID 144850240) is 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide.
What is the SMILES notation for 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide?
The canonical SMILES for 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide is CSN(O)NC(=O)c1cc(C2CC2)c(CN2CCOC(Cc3cc(Cl)cc(Cl)c3)C2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide?
The InChIKey is WSGCHWIFCLSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2FN3O3S/c1-33-29(31)27-23(30)21-11-20(15-2-3-15)16(9-22(21)26)12-28-4-5-32-19(13-28)8-14-6-17(24)10-18(25)7-14/h6-7,9-11,15,19,31H,2-5,8,12-13H2,1H3,(H,27,30).
What are the key properties of 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide?
5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide has a molecular weight of 514.45 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide is sourced from PubChem (CID 144850240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).