3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide

C19H24FNO2 — CID 661862

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H24FNO2/c1-3-11-21(12-4-2)19(22)14-17(18-6-5-13-23-18)15-7-9-16(20)10-8-15/h5-10,13,17H,3-4,11-12,14H2,1-2H3
InChIKeyBRNRQJYJONRNPD-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.59
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide

3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide (PubChem CID 661862) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
PubChem CID661862
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H24FNO2/c1-3-11-21(12-4-2)19(22)14-17(18-6-5-13-23-18)15-7-9-16(20)10-8-15/h5-10,13,17H,3-4,11-12,14H2,1-2H3
InChIKeyBRNRQJYJONRNPD-UHFFFAOYSA-N
XLogP4.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide (CID 661862) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide?
The InChIKey is BRNRQJYJONRNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-3-11-21(12-4-2)19(22)14-17(18-6-5-13-23-18)15-7-9-16(20)10-8-15/h5-10,13,17H,3-4,11-12,14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide?
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide has a molecular weight of 317.40 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide is sourced from PubChem (CID 661862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).