2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride

C20H23Cl2FN2O2 — CID 69074598

IUPAC2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
SMILESCC1CN(C)CCC1Oc1cccc(NC(=O)c2ccc(F)cc2Cl)c1.[Cl-].[H+]
InChIInChI=1S/C20H22ClFN2O2.ClH/c1-13-12-24(2)9-8-19(13)26-16-5-3-4-15(11-16)23-20(25)17-7-6-14(22)10-18(17)21;/h3-7,10-11,13,19H,8-9,12H2,1-2H3,(H,23,25);1H
InChIKeyBHWDQJPPDXDKDT-UHFFFAOYSA-N
MW413.32 g/mol
LogP1.57
Rot. Bonds4

About 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride

2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride (PubChem CID 69074598) has the molecular formula C20H23Cl2FN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride.

Molecular Properties

Compound Name2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
PubChem CID69074598
Molecular FormulaC20H23Cl2FN2O2
Molecular Weight413.32 g/mol
Exact Mass412.11
IUPAC Name2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
SMILESCC1CN(C)CCC1Oc1cccc(NC(=O)c2ccc(F)cc2Cl)c1.[Cl-].[H+]
InChIInChI=1S/C20H22ClFN2O2.ClH/c1-13-12-24(2)9-8-19(13)26-16-5-3-4-15(11-16)23-20(25)17-7-6-14(22)10-18(17)21;/h3-7,10-11,13,19H,8-9,12H2,1-2H3,(H,23,25);1H
InChIKeyBHWDQJPPDXDKDT-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride?
The IUPAC name of 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride (CID 69074598) is 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride.
What is the SMILES notation for 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride?
The canonical SMILES for 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride is CC1CN(C)CCC1Oc1cccc(NC(=O)c2ccc(F)cc2Cl)c1.[Cl-].[H+].
What is the InChIKey of 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride?
The InChIKey is BHWDQJPPDXDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2.ClH/c1-13-12-24(2)9-8-19(13)26-16-5-3-4-15(11-16)23-20(25)17-7-6-14(22)10-18(17)21;/h3-7,10-11,13,19H,8-9,12H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride?
2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride has a molecular weight of 413.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride is sourced from PubChem (CID 69074598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).