5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide

C27H32Cl2FN3O3S — CID 144850650

IUPAC5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide
SMILESCC(C)(c1cc(Cl)cc(Cl)c1)N1CCCC(Oc2cc(F)c(C(=O)NN(O)SC3CC3)cc2C2CC2)C1
InChIInChI=1S/C27H32Cl2FN3O3S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(34)31-33(35)37-21-7-8-21/h10-14,16,20-21,35H,3-9,15H2,1-2H3,(H,31,34)
InChIKeyKOZVFOIVDGRYTH-UHFFFAOYSA-N
MW568.54 g/mol
LogP6.93
Rot. Bonds9

About 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide

5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide (PubChem CID 144850650) has the molecular formula C27H32Cl2FN3O3S and a molecular weight of 568.54 g/mol. Its IUPAC name is 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide
PubChem CID144850650
Molecular FormulaC27H32Cl2FN3O3S
Molecular Weight568.54 g/mol
Exact Mass567.15
IUPAC Name5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide
SMILESCC(C)(c1cc(Cl)cc(Cl)c1)N1CCCC(Oc2cc(F)c(C(=O)NN(O)SC3CC3)cc2C2CC2)C1
InChIInChI=1S/C27H32Cl2FN3O3S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(34)31-33(35)37-21-7-8-21/h10-14,16,20-21,35H,3-9,15H2,1-2H3,(H,31,34)
InChIKeyKOZVFOIVDGRYTH-UHFFFAOYSA-N
XLogP6.93
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.54
LogP ≤ 56.93
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

5-cyclopropyl-N-cyclopropylsulfonyl-4-[(3R)-1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 91799678
5-cyclopropyl-4-[1-(3,5-dichlorobenzoyl)piperidin-3-yl]oxy-2-fluoro-N-methylsulfanylbenzamide
CID 144850342
N'-(azetidin-1-ylsulfanyl)-4-(1-benzylpyrrolidin-3-yl)oxy-5-cyclopropyl-2-fluoro-N'-hydroxybenzohydrazide
CID 144849883
5-cyclopropyl-N-cyclopropylsulfanyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzamide
CID 144849875
5-cyclopropyl-4-[(3R)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-3-yl]oxy-2-fluorobenzoate
CID 131743623
5-cyclopropyl-N-cyclopropylsulfanyl-2-fluoro-4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]oxybenzamide
CID 144849852
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide
CID 118353802
5-cyclopropyl-N-cyclopropylsulfinyl-4-[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzamide
CID 144850860
4-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110458
tert-butyl 3-[2-cyclopropyl-5-fluoro-4-(methylsulfonylcarbamoyl)phenoxy]piperidine-1-carboxylate
CID 118353665
tert-butyl 4-[(3R)-1-benzylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoate
CID 118120671
4-(1-benzhydrylpiperidin-3-yl)oxy-5-cyclopropyl-N-cyclopropylsulfanyl-2-fluorobenzamide
CID 144850062

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide?
The IUPAC name of 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide (CID 144850650) is 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide.
What is the SMILES notation for 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide?
The canonical SMILES for 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide is CC(C)(c1cc(Cl)cc(Cl)c1)N1CCCC(Oc2cc(F)c(C(=O)NN(O)SC3CC3)cc2C2CC2)C1.
What is the InChIKey of 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide?
The InChIKey is KOZVFOIVDGRYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2FN3O3S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(34)31-33(35)37-21-7-8-21/h10-14,16,20-21,35H,3-9,15H2,1-2H3,(H,31,34).
What are the key properties of 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide?
5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide has a molecular weight of 568.54 g/mol, XLogP of 6.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N'-cyclopropylsulfanyl-4-[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluoro-N'-hydroxybenzohydrazide is sourced from PubChem (CID 144850650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).