3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide

C12H19ClF3NO — CID 63678864

IUPAC3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H19ClF3NO/c1-8(9-4-5-9)17(7-12(14,15)16)10(18)11(2,3)6-13/h8-9H,4-7H2,1-3H3
InChIKeyPCJUSTQBHLOGNH-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.44
Rot. Bonds5

About 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide

3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 63678864) has the molecular formula C12H19ClF3NO and a molecular weight of 285.74 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID63678864
Molecular FormulaC12H19ClF3NO
Molecular Weight285.74 g/mol
Exact Mass285.11
IUPAC Name3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H19ClF3NO/c1-8(9-4-5-9)17(7-12(14,15)16)10(18)11(2,3)6-13/h8-9H,4-7H2,1-3H3
InChIKeyPCJUSTQBHLOGNH-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 63678864) is 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PCJUSTQBHLOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3NO/c1-8(9-4-5-9)17(7-12(14,15)16)10(18)11(2,3)6-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 285.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 63678864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).