5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide

C11H18ClF3N2O2 — CID 54875612

IUPAC5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C11H18ClF3N2O2/c1-16(2)10(19)7-17(8-11(13,14)15)9(18)5-3-4-6-12/h3-8H2,1-2H3
InChIKeyKMKQBTIYFBLPNQ-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.87
Rot. Bonds7

About 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide

5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54875612) has the molecular formula C11H18ClF3N2O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54875612
Molecular FormulaC11H18ClF3N2O2
Molecular Weight302.72 g/mol
Exact Mass302.10
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C11H18ClF3N2O2/c1-16(2)10(19)7-17(8-11(13,14)15)9(18)5-3-4-6-12/h3-8H2,1-2H3
InChIKeyKMKQBTIYFBLPNQ-UHFFFAOYSA-N
XLogP1.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide (CID 54875612) is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is KMKQBTIYFBLPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF3N2O2/c1-16(2)10(19)7-17(8-11(13,14)15)9(18)5-3-4-6-12/h3-8H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide?
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 302.72 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54875612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).