2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide

C13H13ClFNO — CID 78970591

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H13ClFNO/c1-3-8-16(4-2)13(17)9-10-11(14)6-5-7-12(10)15/h1,5-7H,4,8-9H2,2H3
InChIKeyFWUFQTWZLVHADP-UHFFFAOYSA-N
MW253.70 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide

2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide (PubChem CID 78970591) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
PubChem CID78970591
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H13ClFNO/c1-3-8-16(4-2)13(17)9-10-11(14)6-5-7-12(10)15/h1,5-7H,4,8-9H2,2H3
InChIKeyFWUFQTWZLVHADP-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
CID 113330087
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704720
3-chloro-N-ethyl-4-fluoro-N-prop-2-ynylbenzamide
CID 81435072
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95322200
N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
CID 78970730
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63237562
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 55313966

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide (CID 78970591) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide is C#CCN(CC)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
The InChIKey is FWUFQTWZLVHADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-3-8-16(4-2)13(17)9-10-11(14)6-5-7-12(10)15/h1,5-7H,4,8-9H2,2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide has a molecular weight of 253.70 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78970591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).