N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide

C15H10F3N3O — CID 30716981

IUPACN-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3N3O/c16-10-5-6-12(15(18)14(10)17)20-8-13(22)21-11-4-2-1-3-9(11)7-19/h1-6,20H,8H2,(H,21,22)
InChIKeyJVDUTAVRXKQVMU-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.03
Rot. Bonds4

About N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide

N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 30716981) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID30716981
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC NameN-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3N3O/c16-10-5-6-12(15(18)14(10)17)20-8-13(22)21-11-4-2-1-3-9(11)7-19/h1-6,20H,8H2,(H,21,22)
InChIKeyJVDUTAVRXKQVMU-UHFFFAOYSA-N
XLogP3.03
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
CID 109010815
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide (CID 30716981) is N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide is N#Cc1ccccc1NC(=O)CNc1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is JVDUTAVRXKQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-10-5-6-12(15(18)14(10)17)20-8-13(22)21-11-4-2-1-3-9(11)7-19/h1-6,20H,8H2,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide?
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide has a molecular weight of 305.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 30716981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).