2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide

C16H11ClF3N3O — CID 2532266

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N3O/c17-13-6-5-11(7-12(13)16(18,19)20)22-9-15(24)23-14-4-2-1-3-10(14)8-21/h1-7,22H,9H2,(H,23,24)
InChIKeyDABGHGJLVZKYCJ-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide

2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide (PubChem CID 2532266) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
PubChem CID2532266
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N3O/c17-13-6-5-11(7-12(13)16(18,19)20)22-9-15(24)23-14-4-2-1-3-10(14)8-21/h1-7,22H,9H2,(H,23,24)
InChIKeyDABGHGJLVZKYCJ-UHFFFAOYSA-N
XLogP4.28
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
3-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanophenyl)propanamide
CID 112812080
methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9101546
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(2-cyanophenyl)propanamide
CID 46561910
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide (CID 2532266) is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
The InChIKey is DABGHGJLVZKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-13-6-5-11(7-12(13)16(18,19)20)22-9-15(24)23-14-4-2-1-3-10(14)8-21/h1-7,22H,9H2,(H,23,24).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide?
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide has a molecular weight of 353.73 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2532266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).