4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide

C24H25FN2O3 — CID 155567940

IUPAC4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide
SMILESCCCOc1cccc([C@@H](CCO)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1
InChIInChI=1S/C24H25FN2O3/c1-2-14-30-21-5-3-4-20(15-21)22(11-13-28)27-24(29)18-8-6-17(7-9-18)19-10-12-26-23(25)16-19/h3-10,12,15-16,22,28H,2,11,13-14H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyKTCGVJZCQDDIRO-JOCHJYFZSA-N
MW408.47 g/mol
LogP4.53
Rot. Bonds9

About 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide

4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide (PubChem CID 155567940) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide
PubChem CID155567940
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide
SMILESCCCOc1cccc([C@@H](CCO)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1
InChIInChI=1S/C24H25FN2O3/c1-2-14-30-21-5-3-4-20(15-21)22(11-13-28)27-24(29)18-8-6-17(7-9-18)19-10-12-26-23(25)16-19/h3-10,12,15-16,22,28H,2,11,13-14H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyKTCGVJZCQDDIRO-JOCHJYFZSA-N
XLogP4.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide (CID 155567940) is 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide is CCCOc1cccc([C@@H](CCO)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1.
What is the InChIKey of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide?
The InChIKey is KTCGVJZCQDDIRO-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-2-14-30-21-5-3-4-20(15-21)22(11-13-28)27-24(29)18-8-6-17(7-9-18)19-10-12-26-23(25)16-19/h3-10,12,15-16,22,28H,2,11,13-14H2,1H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide?
4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide has a molecular weight of 408.47 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyridinyl)-N-[(1R)-3-hydroxy-1-(3-propoxyphenyl)propyl]benzamide is sourced from PubChem (CID 155567940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).