5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide

C23H19ClF4N2O5 — CID 167111939

IUPAC5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1ccnc(OCC(O)CO)c1
InChIInChI=1S/C23H19ClF4N2O5/c1-12-6-13(25)2-3-19(12)35-20-9-17(23(26,27)28)18(24)8-16(20)22(33)30-14-4-5-29-21(7-14)34-11-15(32)10-31/h2-9,15,31-32H,10-11H2,1H3,(H,29,30,33)
InChIKeyBVUIFIBGHGTJFI-UHFFFAOYSA-N
MW514.86 g/mol
LogP4.98
Rot. Bonds8

About 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide

5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide (PubChem CID 167111939) has the molecular formula C23H19ClF4N2O5 and a molecular weight of 514.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
PubChem CID167111939
Molecular FormulaC23H19ClF4N2O5
Molecular Weight514.86 g/mol
Exact Mass514.09
IUPAC Name5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1ccnc(OCC(O)CO)c1
InChIInChI=1S/C23H19ClF4N2O5/c1-12-6-13(25)2-3-19(12)35-20-9-17(23(26,27)28)18(24)8-16(20)22(33)30-14-4-5-29-21(7-14)34-11-15(32)10-31/h2-9,15,31-32H,10-11H2,1H3,(H,29,30,33)
InChIKeyBVUIFIBGHGTJFI-UHFFFAOYSA-N
XLogP4.98
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.86
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911698
2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 130234356
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxypyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 155170303
US20230303497, Example 104
CID 169429055
2-(4-fluoro-2-methylphenoxy)-N-pyridin-4-yl-4-(trifluoromethyl)benzamide
CID 172444353
4-[[3-Chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154644943
4-[[3-Chloro-2-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154644984
4-[[2-(3-Chloro-4-Fluoro-Phenoxy)-4-(Trifluoromethyl)Benzoyl]Amino]Pyridine-2-Carboxamide
CID 154645224
US20240158414, Example 72
CID 156249209
US20240158414, Example 46
CID 156249279
US20240158414, Example 47
CID 156249557
US20240158414, Example 10
CID 156249572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide (CID 167111939) is 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1ccnc(OCC(O)CO)c1.
What is the InChIKey of 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
The InChIKey is BVUIFIBGHGTJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N2O5/c1-12-6-13(25)2-3-19(12)35-20-9-17(23(26,27)28)18(24)8-16(20)22(33)30-14-4-5-29-21(7-14)34-11-15(32)10-31/h2-9,15,31-32H,10-11H2,1H3,(H,29,30,33).
What are the key properties of 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide has a molecular weight of 514.86 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 167111939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).