N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide

C14H14F3N3O — CID 115911184

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)CC1CCNC1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-1-2-12(10(6-11)7-18)20-13(21)5-9-3-4-19-8-9/h1-2,6,9,19H,3-5,8H2,(H,20,21)
InChIKeyJCGUXHMDNVXGSP-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.52
Rot. Bonds3

About N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide

N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 115911184) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
PubChem CID115911184
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)CC1CCNC1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-1-2-12(10(6-11)7-18)20-13(21)5-9-3-4-19-8-9/h1-2,6,9,19H,3-5,8H2,(H,20,21)
InChIKeyJCGUXHMDNVXGSP-UHFFFAOYSA-N
XLogP2.52
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
CID 133360912
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172
N-[2-cyano-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 115911464
N-[2-cyano-4-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 115911191
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 115911205
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide (CID 115911184) is N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide is N#Cc1cc(C(F)(F)F)ccc1NC(=O)CC1CCNC1.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is JCGUXHMDNVXGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-1-2-12(10(6-11)7-18)20-13(21)5-9-3-4-19-8-9/h1-2,6,9,19H,3-5,8H2,(H,20,21).
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide?
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 297.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 115911184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).