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

C23H29F3N2O2 — CID 15987481

IUPACN-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCC(C)(C#N)C1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C23H29F3N2O2/c1-21(2,14-27)16-8-10-18(11-9-16)28(19-12-13-19)20(29)15-4-6-17(7-5-15)22(3,30)23(24,25)26/h4-7,16,18-19,30H,8-13H2,1-3H3/t16?,18?,22-/m0/s1
InChIKeyWGLRSKHPYALGRP-QRFVXNFXSA-N
MW422.49 g/mol
LogP5.17
Rot. Bonds5

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

N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 15987481) has the molecular formula C23H29F3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID15987481
Molecular FormulaC23H29F3N2O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCC(C)(C#N)C1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C23H29F3N2O2/c1-21(2,14-27)16-8-10-18(11-9-16)28(19-12-13-19)20(29)15-4-6-17(7-5-15)22(3,30)23(24,25)26/h4-7,16,18-19,30H,8-13H2,1-3H3/t16?,18?,22-/m0/s1
InChIKeyWGLRSKHPYALGRP-QRFVXNFXSA-N
XLogP5.17
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 15987481) is N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is CC(C)(C#N)C1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is WGLRSKHPYALGRP-QRFVXNFXSA-N. The full InChI is InChI=1S/C23H29F3N2O2/c1-21(2,14-27)16-8-10-18(11-9-16)28(19-12-13-19)20(29)15-4-6-17(7-5-15)22(3,30)23(24,25)26/h4-7,16,18-19,30H,8-13H2,1-3H3/t16?,18?,22-/m0/s1.
What are the key properties of N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 15987481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).