3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide

C24H24F2N2O — CID 86935664

IUPAC3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
SMILESCCCN(C(=O)CCc1cccc(F)c1)C(c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C24H24F2N2O/c1-2-15-28(23(29)13-8-18-5-3-7-22(26)16-18)24(20-6-4-14-27-17-20)19-9-11-21(25)12-10-19/h3-7,9-12,14,16-17,24H,2,8,13,15H2,1H3
InChIKeyIFXVBSYHNMZDDV-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.32
Rot. Bonds8

About 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide

3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide (PubChem CID 86935664) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
PubChem CID86935664
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
SMILESCCCN(C(=O)CCc1cccc(F)c1)C(c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C24H24F2N2O/c1-2-15-28(23(29)13-8-18-5-3-7-22(26)16-18)24(20-6-4-14-27-17-20)19-9-11-21(25)12-10-19/h3-7,9-12,14,16-17,24H,2,8,13,15H2,1H3
InChIKeyIFXVBSYHNMZDDV-UHFFFAOYSA-N
XLogP5.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
CID 86935663
5-bromo-N-[(S)-(4-fluoro-3-methylphenyl)-pyridin-3-ylmethyl]-N-propylfuran-2-carboxamide
CID 95781011
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
CID 42935777
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
CID 124559510
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
CID 39578480
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 156906837
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 156906938
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide (CID 86935664) is 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide is CCCN(C(=O)CCc1cccc(F)c1)C(c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide?
The InChIKey is IFXVBSYHNMZDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O/c1-2-15-28(23(29)13-8-18-5-3-7-22(26)16-18)24(20-6-4-14-27-17-20)19-9-11-21(25)12-10-19/h3-7,9-12,14,16-17,24H,2,8,13,15H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide?
3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide has a molecular weight of 394.47 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide is sourced from PubChem (CID 86935664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).