N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide

C18H17F3N2O3 — CID 6724169

IUPACN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-12(7-9-14)10-22-17(26)15(11-24)23-16(25)13-4-2-1-3-5-13/h1-9,15,24H,10-11H2,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyOIHSLZPJSJCJTA-HNNXBMFYSA-N
MW366.34 g/mol
LogP2.11
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 6724169) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID6724169
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-12(7-9-14)10-22-17(26)15(11-24)23-16(25)13-4-2-1-3-5-13/h1-9,15,24H,10-11H2,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyOIHSLZPJSJCJTA-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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Related Compounds

N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723024
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
CID 6723979
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723602
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
CID 123995767
3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
CID 6667380

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (CID 6724169) is N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide is O=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is OIHSLZPJSJCJTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-12(7-9-14)10-22-17(26)15(11-24)23-16(25)13-4-2-1-3-5-13/h1-9,15,24H,10-11H2,(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]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)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 6724169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).