N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide

C21H12Cl2F3N3O — CID 177182257

IUPACN-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESN#Cc1ncc(C(F)(F)F)cc1N(C(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C21H12Cl2F3N3O/c22-15-7-5-13(6-8-15)9-20(30)29(18-4-2-1-3-16(18)23)19-10-14(21(24,25)26)12-28-17(19)11-27/h1-8,10,12H,9H2
InChIKeyWUSMWZGIWCRYIU-UHFFFAOYSA-N
MW450.25 g/mol
LogP6.19
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide

N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 177182257) has the molecular formula C21H12Cl2F3N3O and a molecular weight of 450.25 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID177182257
Molecular FormulaC21H12Cl2F3N3O
Molecular Weight450.25 g/mol
Exact Mass449.03
IUPAC NameN-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESN#Cc1ncc(C(F)(F)F)cc1N(C(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C21H12Cl2F3N3O/c22-15-7-5-13(6-8-15)9-20(30)29(18-4-2-1-3-16(18)23)19-10-14(21(24,25)26)12-28-17(19)11-27/h1-8,10,12H,9H2
InChIKeyWUSMWZGIWCRYIU-UHFFFAOYSA-N
XLogP6.19
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.25
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 177182257) is N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide is N#Cc1ncc(C(F)(F)F)cc1N(C(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is WUSMWZGIWCRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F3N3O/c22-15-7-5-13(6-8-15)9-20(30)29(18-4-2-1-3-16(18)23)19-10-14(21(24,25)26)12-28-17(19)11-27/h1-8,10,12H,9H2.
What are the key properties of N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide?
N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 450.25 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 177182257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).