(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide

C21H25ClF3N3O — CID 2427757

IUPAC(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
SMILESCCN(CC)CCN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C21H25ClF3N3O/c1-3-28(4-2)13-12-26-19(15-8-6-5-7-9-15)20(29)27-18-14-16(21(23,24)25)10-11-17(18)22/h5-11,14,19,26H,3-4,12-13H2,1-2H3,(H,27,29)/t19-/m1/s1
InChIKeyVNEJRPXNDWBCSE-LJQANCHMSA-N
MW427.90 g/mol
LogP4.97
Rot. Bonds9

About (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide (PubChem CID 2427757) has the molecular formula C21H25ClF3N3O and a molecular weight of 427.90 g/mol. Its IUPAC name is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
PubChem CID2427757
Molecular FormulaC21H25ClF3N3O
Molecular Weight427.90 g/mol
Exact Mass427.16
IUPAC Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
SMILESCCN(CC)CCN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C21H25ClF3N3O/c1-3-28(4-2)13-12-26-19(15-8-6-5-7-9-15)20(29)27-18-14-16(21(23,24)25)10-11-17(18)22/h5-11,14,19,26H,3-4,12-13H2,1-2H3,(H,27,29)/t19-/m1/s1
InChIKeyVNEJRPXNDWBCSE-LJQANCHMSA-N
XLogP4.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 2108183
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4881044
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 2562154
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2367295
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide (CID 2427757) is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide is CCN(CC)CCN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
The InChIKey is VNEJRPXNDWBCSE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25ClF3N3O/c1-3-28(4-2)13-12-26-19(15-8-6-5-7-9-15)20(29)27-18-14-16(21(23,24)25)10-11-17(18)22/h5-11,14,19,26H,3-4,12-13H2,1-2H3,(H,27,29)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide has a molecular weight of 427.90 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 2427757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).