(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C20H22F4N2O — CID 97028450

IUPAC(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F4N2O/c1-4-26(5-2)18(14-7-6-8-15(12-14)20(22,23)24)19(27)25-17-10-9-16(21)11-13(17)3/h6-12,18H,4-5H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyRSQFCCPMEUASPS-SFHVURJKSA-N
MW382.40 g/mol
LogP5.17
Rot. Bonds6

About (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 97028450) has the molecular formula C20H22F4N2O and a molecular weight of 382.40 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID97028450
Molecular FormulaC20H22F4N2O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC Name(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F4N2O/c1-4-26(5-2)18(14-7-6-8-15(12-14)20(22,23)24)19(27)25-17-10-9-16(21)11-13(17)3/h6-12,18H,4-5H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyRSQFCCPMEUASPS-SFHVURJKSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 95769295
N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
CID 56538096
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
1-(4-fluoro-2-methylphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 71672872
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 95769157
(3R)-1-[(2S)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 125148409
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 97028450) is (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)[C@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RSQFCCPMEUASPS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F4N2O/c1-4-26(5-2)18(14-7-6-8-15(12-14)20(22,23)24)19(27)25-17-10-9-16(21)11-13(17)3/h6-12,18H,4-5H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
(2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 382.40 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 97028450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).