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

C21H21F3N2O3 — CID 6723024

IUPACN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)[C@H](CO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)16-8-6-14(7-9-16)12-25-18(28)17(13-27)26-19(29)20(10-11-20)15-4-2-1-3-5-15/h1-9,17,27H,10-13H2,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyKXQBNKGVHDSWHG-KRWDZBQOSA-N
MW406.40 g/mol
LogP2.53
Rot. Bonds7

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

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 6723024) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID6723024
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)[C@H](CO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)16-8-6-14(7-9-16)12-25-18(28)17(13-27)26-19(29)20(10-11-20)15-4-2-1-3-5-15/h1-9,17,27H,10-13H2,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyKXQBNKGVHDSWHG-KRWDZBQOSA-N
XLogP2.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
CID 6723979
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide (CID 6723024) is N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)[C@H](CO)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KXQBNKGVHDSWHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c22-21(23,24)16-8-6-14(7-9-16)12-25-18(28)17(13-27)26-19(29)20(10-11-20)15-4-2-1-3-5-15/h1-9,17,27H,10-13H2,(H,25,28)(H,26,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 2.53, 7 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]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6723024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).