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

C24H26F4N2O3 — CID 59030521

IUPACN-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3ccncc3F)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O3/c1-22(32,24(26,27)28)16-4-2-15(3-5-16)21(31)30(17-6-7-17)18-8-11-23(33,12-9-18)19-10-13-29-14-20(19)25/h2-5,10,13-14,17-18,32-33H,6-9,11-12H2,1H3/t18?,22-,23?/m0/s1
InChIKeyMHNOLWVBGKHYAC-PHBIXPCASA-N
MW466.48 g/mol
LogP4.43
Rot. Bonds5

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

N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 59030521) has the molecular formula C24H26F4N2O3 and a molecular weight of 466.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID59030521
Molecular FormulaC24H26F4N2O3
Molecular Weight466.48 g/mol
Exact Mass466.19
IUPAC NameN-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3ccncc3F)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O3/c1-22(32,24(26,27)28)16-4-2-15(3-5-16)21(31)30(17-6-7-17)18-8-11-23(33,12-9-18)19-10-13-29-14-20(19)25/h2-5,10,13-14,17-18,32-33H,6-9,11-12H2,1H3/t18?,22-,23?/m0/s1
InChIKeyMHNOLWVBGKHYAC-PHBIXPCASA-N
XLogP4.43
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 59030521) is N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(c3ccncc3F)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is MHNOLWVBGKHYAC-PHBIXPCASA-N. The full InChI is InChI=1S/C24H26F4N2O3/c1-22(32,24(26,27)28)16-4-2-15(3-5-16)21(31)30(17-6-7-17)18-8-11-23(33,12-9-18)19-10-13-29-14-20(19)25/h2-5,10,13-14,17-18,32-33H,6-9,11-12H2,1H3/t18?,22-,23?/m0/s1.
What are the key properties of N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 466.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(3-fluoro-4-pyridinyl)-4-hydroxycyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 59030521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).