2-(4-fluorophenyl)-N,N-dipropylacetamide

C14H20FNO — CID 1121963

IUPAC2-(4-fluorophenyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-9-16(10-4-2)14(17)11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHGPDNGAOACSKAA-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-fluorophenyl)-N,N-dipropylacetamide

2-(4-fluorophenyl)-N,N-dipropylacetamide (PubChem CID 1121963) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dipropylacetamide
PubChem CID1121963
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(4-fluorophenyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-9-16(10-4-2)14(17)11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHGPDNGAOACSKAA-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-dipropylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dipropylacetamide (CID 1121963) is 2-(4-fluorophenyl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dipropylacetamide?
The InChIKey is HGPDNGAOACSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-9-16(10-4-2)14(17)11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N,N-dipropylacetamide?
2-(4-fluorophenyl)-N,N-dipropylacetamide has a molecular weight of 237.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dipropylacetamide is sourced from PubChem (CID 1121963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).