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

C18H17F3N2O3 — CID 24762018

IUPACN-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)16(25)23-15(11-24)17(26)22-10-12-4-2-1-3-5-12/h1-9,15,24H,10-11H2,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyLGHIHLJLHZSCSH-HNNXBMFYSA-N
MW366.34 g/mol
LogP2.11
Rot. Bonds6

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

N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 24762018) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID24762018
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)16(25)23-15(11-24)17(26)22-10-12-4-2-1-3-5-12/h1-9,15,24H,10-11H2,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyLGHIHLJLHZSCSH-HNNXBMFYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide (CID 24762018) is N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide is O=C(N[C@@H](CO)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is LGHIHLJLHZSCSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)16(25)23-15(11-24)17(26)22-10-12-4-2-1-3-5-12/h1-9,15,24H,10-11H2,(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide?
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24762018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).