N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide

C26H29F3N2O3 — CID 44535267

IUPACN-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(N[C@@H](CC1CCCCC1)C(=O)NC1CC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H29F3N2O3/c27-26(28,29)19-8-4-7-17(14-19)21-15-18(9-12-23(21)32)24(33)31-22(25(34)30-20-10-11-20)13-16-5-2-1-3-6-16/h4,7-9,12,14-16,20,22,32H,1-3,5-6,10-11,13H2,(H,30,34)(H,31,33)/t22-/m0/s1
InChIKeySZZCWLQNMXLZKR-QFIPXVFZSA-N
MW474.52 g/mol
LogP5.43
Rot. Bonds7

About N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide

N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 44535267) has the molecular formula C26H29F3N2O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID44535267
Molecular FormulaC26H29F3N2O3
Molecular Weight474.52 g/mol
Exact Mass474.21
IUPAC NameN-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(N[C@@H](CC1CCCCC1)C(=O)NC1CC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H29F3N2O3/c27-26(28,29)19-8-4-7-17(14-19)21-15-18(9-12-23(21)32)24(33)31-22(25(34)30-20-10-11-20)13-16-5-2-1-3-6-16/h4,7-9,12,14-16,20,22,32H,1-3,5-6,10-11,13H2,(H,30,34)(H,31,33)/t22-/m0/s1
InChIKeySZZCWLQNMXLZKR-QFIPXVFZSA-N
XLogP5.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide (CID 44535267) is N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide is O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SZZCWLQNMXLZKR-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29F3N2O3/c27-26(28,29)19-8-4-7-17(14-19)21-15-18(9-12-23(21)32)24(33)31-22(25(34)30-20-10-11-20)13-16-5-2-1-3-6-16/h4,7-9,12,14-16,20,22,32H,1-3,5-6,10-11,13H2,(H,30,34)(H,31,33)/t22-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 474.52 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44535267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).