N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide

C17H17F3N2O — CID 130678853

IUPACN-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@H](CNCc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)16(23)22-15(14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10,15,21H,11-12H2,(H,22,23)/t15-/m1/s1
InChIKeyOCCIACAHSDRYSY-OAHLLOKOSA-N
MW322.33 g/mol
LogP3.20
Rot. Bonds6

About N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide

N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide (PubChem CID 130678853) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide
PubChem CID130678853
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@H](CNCc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)16(23)22-15(14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10,15,21H,11-12H2,(H,22,23)/t15-/m1/s1
InChIKeyOCCIACAHSDRYSY-OAHLLOKOSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide (CID 130678853) is N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide is O=C(N[C@H](CNCc1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide?
The InChIKey is OCCIACAHSDRYSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)16(23)22-15(14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10,15,21H,11-12H2,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide?
N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide has a molecular weight of 322.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130678853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).