4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide

C22H26ClFN2O2 — CID 164618143

IUPAC4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2F)CC1
InChIInChI=1S/C22H26ClFN2O2/c1-3-19(26-21(27)16-8-10-17(23)11-9-16)15-6-4-14(5-7-15)18-12-13-25-22(28-2)20(18)24/h8-15,19H,3-7H2,1-2H3,(H,26,27)/t14?,15?,19-/m1/s1
InChIKeyVFSHJPCTGIFIEX-JFIBYHEFSA-N
MW404.91 g/mol
LogP5.37
Rot. Bonds6

About 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide

4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide (PubChem CID 164618143) has the molecular formula C22H26ClFN2O2 and a molecular weight of 404.91 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
PubChem CID164618143
Molecular FormulaC22H26ClFN2O2
Molecular Weight404.91 g/mol
Exact Mass404.17
IUPAC Name4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2F)CC1
InChIInChI=1S/C22H26ClFN2O2/c1-3-19(26-21(27)16-8-10-17(23)11-9-16)15-6-4-14(5-7-15)18-12-13-25-22(28-2)20(18)24/h8-15,19H,3-7H2,1-2H3,(H,26,27)/t14?,15?,19-/m1/s1
InChIKeyVFSHJPCTGIFIEX-JFIBYHEFSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.91
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide (CID 164618143) is 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2F)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide?
The InChIKey is VFSHJPCTGIFIEX-JFIBYHEFSA-N. The full InChI is InChI=1S/C22H26ClFN2O2/c1-3-19(26-21(27)16-8-10-17(23)11-9-16)15-6-4-14(5-7-15)18-12-13-25-22(28-2)20(18)24/h8-15,19H,3-7H2,1-2H3,(H,26,27)/t14?,15?,19-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide has a molecular weight of 404.91 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164618143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).