5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide

C23H25Cl2FN2O2 — CID 118120365

IUPAC5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(OCc3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C23H25Cl2FN2O2/c24-17-7-14(8-18(25)10-17)13-30-19-3-5-28(6-4-19)12-16-9-22(26)21(23(27)29)11-20(16)15-1-2-15/h7-11,15,19H,1-6,12-13H2,(H2,27,29)
InChIKeyRMJSYVZDUGIGKL-UHFFFAOYSA-N
MW451.37 g/mol
LogP5.29
Rot. Bonds7

About 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide

5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide (PubChem CID 118120365) has the molecular formula C23H25Cl2FN2O2 and a molecular weight of 451.37 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide
PubChem CID118120365
Molecular FormulaC23H25Cl2FN2O2
Molecular Weight451.37 g/mol
Exact Mass450.13
IUPAC Name5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(OCc3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C23H25Cl2FN2O2/c24-17-7-14(8-18(25)10-17)13-30-19-3-5-28(6-4-19)12-16-9-22(26)21(23(27)29)11-20(16)15-1-2-15/h7-11,15,19H,1-6,12-13H2,(H2,27,29)
InChIKeyRMJSYVZDUGIGKL-UHFFFAOYSA-N
XLogP5.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-4-[[(2R)-2-[(3,5-dichlorophenyl)methyl]-5,5-dimethylmorpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118110617
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[[(2R)-2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluorobenzamide
CID 118111094
5-cyclopropyl-4-[[(2R)-2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118111106
N-(azetidin-1-ylsulfonyl)-4-[[4-[(2-chloro-4-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
CID 118120198
4-[[4-[(2-chloro-4-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118120308
4-[[4-[(2-chloro-4-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide
CID 118120309
Synthesis of 4-((4-(3-Chloro-2-fluoro-5-(trifluoromethyl)phenoxy)piperidin-1-yl)methyl)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide, trifluoroacetic acid salt
CID 118120610
5-Cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 118120718
5-cyclopropyl-4-[[(1S,5R)-3-(3,5-dichlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-fluorobenzamide
CID 118120754
Synthesis of 4-((4-(4-chlorophenoxy)pyridin-1-yl)methyl)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide, trifluoroacetic acid salt
CID 118120766
3-(3-chlorophenyl)-7-fluoro-5-methyl-4-(3-piperidin-1-ylpropoxy)-2H-isoquinolin-1-one
CID 49834075
Propan-2-yl 4-[2-[4-[(3-chloro-4-fluorobenzoyl)amino]piperidin-1-yl]ethyl]-3-methylbenzoate
CID 69195450

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide (CID 118120365) is 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(OCc3cc(Cl)cc(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide?
The InChIKey is RMJSYVZDUGIGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN2O2/c24-17-7-14(8-18(25)10-17)13-30-19-3-5-28(6-4-19)12-16-9-22(26)21(23(27)29)11-20(16)15-1-2-15/h7-11,15,19H,1-6,12-13H2,(H2,27,29).
What are the key properties of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide?
5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide has a molecular weight of 451.37 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 118120365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).