N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide

C18H19F3N2O — CID 132608843

IUPACN-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)[C@H](c1ccccc1)[C@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H19F3N2O/c1-23(2)16(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)22-17(24)18(19,20)21/h3-12,15-16H,1-2H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyQQYKOTRUSUDFAN-HZPDHXFCSA-N
MW336.36 g/mol
LogP3.71
Rot. Bonds5

About N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide

N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide (PubChem CID 132608843) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide
PubChem CID132608843
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)[C@H](c1ccccc1)[C@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H19F3N2O/c1-23(2)16(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)22-17(24)18(19,20)21/h3-12,15-16H,1-2H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyQQYKOTRUSUDFAN-HZPDHXFCSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
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4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide (CID 132608843) is N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide is CN(C)[C@H](c1ccccc1)[C@H](NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide?
The InChIKey is QQYKOTRUSUDFAN-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-23(2)16(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)22-17(24)18(19,20)21/h3-12,15-16H,1-2H3,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide?
N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide has a molecular weight of 336.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 132608843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).