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

C20H25F3N2O3 — CID 15987480

IUPACN-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(C(N)=O)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C20H25F3N2O3/c1-19(28,20(21,22)23)14-6-2-13(3-7-14)18(27)25(16-10-11-16)15-8-4-12(5-9-15)17(24)26/h2-3,6-7,12,15-16,28H,4-5,8-11H2,1H3,(H2,24,26)/t12?,15?,19-/m0/s1
InChIKeyGMFHPINRYPQDLQ-JBAZFKOSSA-N
MW398.43 g/mol
LogP3.11
Rot. Bonds5

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

N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 15987480) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID15987480
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC NameN-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(C(N)=O)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C20H25F3N2O3/c1-19(28,20(21,22)23)14-6-2-13(3-7-14)18(27)25(16-10-11-16)15-8-4-12(5-9-15)17(24)26/h2-3,6-7,12,15-16,28H,4-5,8-11H2,1H3,(H2,24,26)/t12?,15?,19-/m0/s1
InChIKeyGMFHPINRYPQDLQ-JBAZFKOSSA-N
XLogP3.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 15987480) is N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CCC(C(N)=O)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is GMFHPINRYPQDLQ-JBAZFKOSSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-19(28,20(21,22)23)14-6-2-13(3-7-14)18(27)25(16-10-11-16)15-8-4-12(5-9-15)17(24)26/h2-3,6-7,12,15-16,28H,4-5,8-11H2,1H3,(H2,24,26)/t12?,15?,19-/m0/s1.
What are the key properties of N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 15987480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).