N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C19H23F4NO2 — CID 15987476

IUPACN-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14?,15?,18-/m0/s1
InChIKeyMCQZOJFPSRKRQW-JMLCCBQJSA-N
MW373.39 g/mol
LogP4.34
Rot. Bonds4

About N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 15987476) has the molecular formula C19H23F4NO2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID15987476
Molecular FormulaC19H23F4NO2
Molecular Weight373.39 g/mol
Exact Mass373.17
IUPAC NameN-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14?,15?,18-/m0/s1
InChIKeyMCQZOJFPSRKRQW-JMLCCBQJSA-N
XLogP4.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 15987476) is N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is MCQZOJFPSRKRQW-JMLCCBQJSA-N. The full InChI is InChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14?,15?,18-/m0/s1.
What are the key properties of N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 373.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-fluorocyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 15987476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).