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

C21H25ClF3N3O — CID 5009291

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
SMILESCCN(CC)CCNC(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)
InChIKeyVNEJRPXNDWBCSE-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.97
Rot. Bonds9

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide (PubChem CID 5009291) has the molecular formula C21H25ClF3N3O and a molecular weight of 427.90 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
PubChem CID5009291
Molecular FormulaC21H25ClF3N3O
Molecular Weight427.90 g/mol
Exact Mass427.16
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
SMILESCCN(CC)CCNC(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)
InChIKeyVNEJRPXNDWBCSE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide (CID 5009291) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide is CCN(CC)CCNC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
The InChIKey is VNEJRPXNDWBCSE-UHFFFAOYSA-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).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide?
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 N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 5009291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).