N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide

C17H14F3N3O2 — CID 31775100

IUPACN-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESN#CCc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-15-3-1-2-14(10-15)22-11-16(24)23-13-6-4-12(5-7-13)8-9-21/h1-7,10,22H,8,11H2,(H,23,24)
InChIKeyUPFZKSPYSDVEEO-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 31775100) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID31775100
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESN#CCc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-15-3-1-2-14(10-15)22-11-16(24)23-13-6-4-12(5-7-13)8-9-21/h1-7,10,22H,8,11H2,(H,23,24)
InChIKeyUPFZKSPYSDVEEO-UHFFFAOYSA-N
XLogP3.70
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(3-methylanilino)acetamide
CID 51202790
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774526
methyl 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]benzoate
CID 36587066
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774679
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
2-(3-chloro-4-fluoroanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26508347

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide (CID 31775100) is N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide is N#CCc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is UPFZKSPYSDVEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)25-15-3-1-2-14(10-15)22-11-16(24)23-13-6-4-12(5-7-13)8-9-21/h1-7,10,22H,8,11H2,(H,23,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 349.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 31775100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).