N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C24H26F4N2O2 — CID 68559302

IUPACN-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)N(C2CCC(c3ncccc3F)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-23(32,24(26,27)28)17-8-4-16(5-9-17)22(31)30(19-12-13-19)18-10-6-15(7-11-18)21-20(25)3-2-14-29-21/h2-5,8-9,14-15,18-19,32H,6-7,10-13H2,1H3
InChIKeyGDTOIKONBUYBOI-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.32
Rot. Bonds5

About N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 68559302) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID68559302
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC NameN-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)N(C2CCC(c3ncccc3F)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-23(32,24(26,27)28)17-8-4-16(5-9-17)22(31)30(19-12-13-19)18-10-6-15(7-11-18)21-20(25)3-2-14-29-21/h2-5,8-9,14-15,18-19,32H,6-7,10-13H2,1H3
InChIKeyGDTOIKONBUYBOI-UHFFFAOYSA-N
XLogP5.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 68559302) is N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(O)(c1ccc(C(=O)N(C2CCC(c3ncccc3F)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is GDTOIKONBUYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-23(32,24(26,27)28)17-8-4-16(5-9-17)22(31)30(19-12-13-19)18-10-6-15(7-11-18)21-20(25)3-2-14-29-21/h2-5,8-9,14-15,18-19,32H,6-7,10-13H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 450.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(3-fluoro-2-pyridinyl)cyclohexyl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 68559302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).