N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide

C24H23FN2O3 — CID 167543424

IUPACN-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2O)cc1
InChIInChI=1S/C24H23FN2O3/c1-3-24(30)27(2)19-9-6-17(7-10-19)20-11-8-18(14-22(20)29)21(28)12-4-16-5-13-23(25)26-15-16/h5-11,13-15,29H,3-4,12H2,1-2H3
InChIKeyTWKXFNGHGTWZGE-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.78
Rot. Bonds7

About N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide

N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide (PubChem CID 167543424) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
PubChem CID167543424
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC NameN-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2O)cc1
InChIInChI=1S/C24H23FN2O3/c1-3-24(30)27(2)19-9-6-17(7-10-19)20-11-8-18(14-22(20)29)21(28)12-4-16-5-13-23(25)26-15-16/h5-11,13-15,29H,3-4,12H2,1-2H3
InChIKeyTWKXFNGHGTWZGE-UHFFFAOYSA-N
XLogP4.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
N-[4-[4-[2-(6-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide
CID 167693862
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
CID 167667597
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-2-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-hydroxy-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167671290
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167653829
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
CID 167616132
N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
CID 167542434
N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide (CID 167543424) is N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2O)cc1.
What is the InChIKey of N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide?
The InChIKey is TWKXFNGHGTWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-3-24(30)27(2)19-9-6-17(7-10-19)20-11-8-18(14-22(20)29)21(28)12-4-16-5-13-23(25)26-15-16/h5-11,13-15,29H,3-4,12H2,1-2H3.
What are the key properties of N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide?
N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide has a molecular weight of 406.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167543424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).