N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide

C26H27F3N2O2 — CID 155674072

IUPACN-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(N[C@H](CO)Cc1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C26H27F3N2O2/c27-26(28,29)24(30-22(18-32)16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)31-25(33)21-14-8-3-9-15-21/h1-15,22-24,30,32H,16-18H2,(H,31,33)/t22-,23?,24?/m0/s1
InChIKeyUCDHKGADYZYTKM-BOMBAVFCSA-N
MW456.51 g/mol
LogP4.15
Rot. Bonds10

About N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide

N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide (PubChem CID 155674072) has the molecular formula C26H27F3N2O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide
PubChem CID155674072
Molecular FormulaC26H27F3N2O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC NameN-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(N[C@H](CO)Cc1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C26H27F3N2O2/c27-26(28,29)24(30-22(18-32)16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)31-25(33)21-14-8-3-9-15-21/h1-15,22-24,30,32H,16-18H2,(H,31,33)/t22-,23?,24?/m0/s1
InChIKeyUCDHKGADYZYTKM-BOMBAVFCSA-N
XLogP4.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
2-amino-3-benzamido-4-phenylbutanoic acid
CID 12502888
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182

Frequently Asked Questions

What is the IUPAC name of N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide (CID 155674072) is N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(N[C@H](CO)Cc1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide?
The InChIKey is UCDHKGADYZYTKM-BOMBAVFCSA-N. The full InChI is InChI=1S/C26H27F3N2O2/c27-26(28,29)24(30-22(18-32)16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)31-25(33)21-14-8-3-9-15-21/h1-15,22-24,30,32H,16-18H2,(H,31,33)/t22-,23?,24?/m0/s1.
What are the key properties of N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide?
N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide has a molecular weight of 456.51 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 155674072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).