N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide

C11H9F3N2O — CID 60731315

IUPACN-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
SMILESN#CCc1ccc(NC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)7-10(17)16-9-3-1-8(2-4-9)5-6-15/h1-4H,5,7H2,(H,16,17)
InChIKeyNBIAPYWNWNZADY-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.64
Rot. Bonds3

About N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide

N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide (PubChem CID 60731315) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
PubChem CID60731315
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
SMILESN#CCc1ccc(NC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)7-10(17)16-9-3-1-8(2-4-9)5-6-15/h1-4H,5,7H2,(H,16,17)
InChIKeyNBIAPYWNWNZADY-UHFFFAOYSA-N
XLogP2.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125
N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 14253808
2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 6930186
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3,3,3-trifluoropropanamide
CID 62303741
5-bromo-N-[4-(cyanomethyl)phenyl]pentanamide
CID 107908863
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040901

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide (CID 60731315) is N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide is N#CCc1ccc(NC(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide?
The InChIKey is NBIAPYWNWNZADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)7-10(17)16-9-3-1-8(2-4-9)5-6-15/h1-4H,5,7H2,(H,16,17).
What are the key properties of N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide?
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide has a molecular weight of 242.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 60731315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).