2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide

C13H12F3N3O — CID 43568515

IUPAC2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCC(=O)NC1CC1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-1-4-11(8(5-9)6-17)18-7-12(20)19-10-2-3-10/h1,4-5,10,18H,2-3,7H2,(H,19,20)
InChIKeyFWQRADVCYHBLAD-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide

2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide (PubChem CID 43568515) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
PubChem CID43568515
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCC(=O)NC1CC1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-1-4-11(8(5-9)6-17)18-7-12(20)19-10-2-3-10/h1,4-5,10,18H,2-3,7H2,(H,19,20)
InChIKeyFWQRADVCYHBLAD-UHFFFAOYSA-N
XLogP2.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
2-[2-(cyclopropylamino)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 55100935
N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
CID 133360912
2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 115693730
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
3-[2-cyano-4-(trifluoromethyl)anilino]propanoic acid
CID 43331025
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
tert-butyl 3-[2-cyano-4-(trifluoromethyl)anilino]azetidine-1-carboxylate
CID 113353594
2-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-N-cyclopropylacetamide
CID 51088495
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide (CID 43568515) is 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide is N#Cc1cc(C(F)(F)F)ccc1NCC(=O)NC1CC1.
What is the InChIKey of 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide?
The InChIKey is FWQRADVCYHBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-1-4-11(8(5-9)6-17)18-7-12(20)19-10-2-3-10/h1,4-5,10,18H,2-3,7H2,(H,19,20).
What are the key properties of 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide?
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide has a molecular weight of 283.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide is sourced from PubChem (CID 43568515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).