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

C23H27ClF2N2O2 — CID 164609257

IUPAC4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1
InChIInChI=1S/C23H27ClF2N2O2/c1-3-19(28-22(29)16-8-10-17(24)11-9-16)15-6-4-14(5-7-15)18-12-13-27-23(30-2)20(18)21(25)26/h8-15,19,21H,3-7H2,1-2H3,(H,28,29)/t14?,15?,19-/m1/s1
InChIKeyCUUVPQDOXLJGRB-JFIBYHEFSA-N
MW436.93 g/mol
LogP6.16
Rot. Bonds7

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

4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide (PubChem CID 164609257) has the molecular formula C23H27ClF2N2O2 and a molecular weight of 436.93 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide
PubChem CID164609257
Molecular FormulaC23H27ClF2N2O2
Molecular Weight436.93 g/mol
Exact Mass436.17
IUPAC Name4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1
InChIInChI=1S/C23H27ClF2N2O2/c1-3-19(28-22(29)16-8-10-17(24)11-9-16)15-6-4-14(5-7-15)18-12-13-27-23(30-2)20(18)21(25)26/h8-15,19,21H,3-7H2,1-2H3,(H,28,29)/t14?,15?,19-/m1/s1
InChIKeyCUUVPQDOXLJGRB-JFIBYHEFSA-N
XLogP6.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.93
LogP ≤ 56.16
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-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide (CID 164609257) is 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide?
The InChIKey is CUUVPQDOXLJGRB-JFIBYHEFSA-N. The full InChI is InChI=1S/C23H27ClF2N2O2/c1-3-19(28-22(29)16-8-10-17(24)11-9-16)15-6-4-14(5-7-15)18-12-13-27-23(30-2)20(18)21(25)26/h8-15,19,21H,3-7H2,1-2H3,(H,28,29)/t14?,15?,19-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide has a molecular weight of 436.93 g/mol, XLogP of 6.16, 7 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-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164609257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).