3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

C28H29F3N2O — CID 58449362

IUPAC3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1
InChIInChI=1S/C28H29F3N2O/c1-18-8-10-21(11-9-18)24-14-23(20-6-4-3-5-7-20)15-25(16-24)27(34)33-19(2)22-12-13-26(32-17-22)28(29,30)31/h8-17,19-20H,3-7H2,1-2H3,(H,33,34)/t19-/m1/s1
InChIKeyJUDBPBBTTVKQPN-LJQANCHMSA-N
MW466.55 g/mol
LogP7.61
Rot. Bonds5

About 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (PubChem CID 58449362) has the molecular formula C28H29F3N2O and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
PubChem CID58449362
Molecular FormulaC28H29F3N2O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1
InChIInChI=1S/C28H29F3N2O/c1-18-8-10-21(11-9-18)24-14-23(20-6-4-3-5-7-20)15-25(16-24)27(34)33-19(2)22-12-13-26(32-17-22)28(29,30)31/h8-17,19-20H,3-7H2,1-2H3,(H,33,34)/t19-/m1/s1
InChIKeyJUDBPBBTTVKQPN-LJQANCHMSA-N
XLogP7.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The IUPAC name of 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (CID 58449362) is 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The canonical SMILES for 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1.
What is the InChIKey of 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The InChIKey is JUDBPBBTTVKQPN-LJQANCHMSA-N. The full InChI is InChI=1S/C28H29F3N2O/c1-18-8-10-21(11-9-18)24-14-23(20-6-4-3-5-7-20)15-25(16-24)27(34)33-19(2)22-12-13-26(32-17-22)28(29,30)31/h8-17,19-20H,3-7H2,1-2H3,(H,33,34)/t19-/m1/s1.
What are the key properties of 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide has a molecular weight of 466.55 g/mol, XLogP of 7.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 58449362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).