N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide

C14H13F3N2O — CID 51097014

IUPACN-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-3-1-10(2-4-11)9-13(20)19(8-7-18)12-5-6-12/h1-4,12H,5-6,8-9H2
InChIKeyNUUHSKJRPRVGFL-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.76
Rot. Bonds4

About N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51097014) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51097014
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-3-1-10(2-4-11)9-13(20)19(8-7-18)12-5-6-12/h1-4,12H,5-6,8-9H2
InChIKeyNUUHSKJRPRVGFL-UHFFFAOYSA-N
XLogP2.76
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 51097014) is N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide is N#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NUUHSKJRPRVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)11-3-1-10(2-4-11)9-13(20)19(8-7-18)12-5-6-12/h1-4,12H,5-6,8-9H2.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 282.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51097014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).