(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide

C21H23ClF3N3O2 — CID 95769295

IUPAC(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23ClF3N3O2/c1-4-28(5-2)19(14-7-6-8-15(11-14)21(23,24)25)20(30)27-18-10-9-16(12-17(18)22)26-13(3)29/h6-12,19H,4-5H2,1-3H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKeyRBMVZSFJPPPQDV-IBGZPJMESA-N
MW441.88 g/mol
LogP5.34
Rot. Bonds7

About (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide

(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 95769295) has the molecular formula C21H23ClF3N3O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID95769295
Molecular FormulaC21H23ClF3N3O2
Molecular Weight441.88 g/mol
Exact Mass441.14
IUPAC Name(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23ClF3N3O2/c1-4-28(5-2)19(14-7-6-8-15(11-14)21(23,24)25)20(30)27-18-10-9-16(12-17(18)22)26-13(3)29/h6-12,19H,4-5H2,1-3H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKeyRBMVZSFJPPPQDV-IBGZPJMESA-N
XLogP5.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.88
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 95769295) is (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RBMVZSFJPPPQDV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClF3N3O2/c1-4-28(5-2)19(14-7-6-8-15(11-14)21(23,24)25)20(30)27-18-10-9-16(12-17(18)22)26-13(3)29/h6-12,19H,4-5H2,1-3H3,(H,26,29)(H,27,30)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide?
(2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.88 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamido-2-chlorophenyl)-2-(diethylamino)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 95769295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).