4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide

C23H19FN2O2 — CID 129206342

IUPAC4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide
SMILESCc1[nH]c2ccc(Oc3ccc(C(=O)Nc4cccc(F)c4)cc3)cc2c1C
InChIInChI=1S/C23H19FN2O2/c1-14-15(2)25-22-11-10-20(13-21(14)22)28-19-8-6-16(7-9-19)23(27)26-18-5-3-4-17(24)12-18/h3-13,25H,1-2H3,(H,26,27)
InChIKeyQMGURGQGSHLKHZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.97
Rot. Bonds4

About 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide

4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide (PubChem CID 129206342) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide
PubChem CID129206342
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide
SMILESCc1[nH]c2ccc(Oc3ccc(C(=O)Nc4cccc(F)c4)cc3)cc2c1C
InChIInChI=1S/C23H19FN2O2/c1-14-15(2)25-22-11-10-20(13-21(14)22)28-19-8-6-16(7-9-19)23(27)26-18-5-3-4-17(24)12-18/h3-13,25H,1-2H3,(H,26,27)
InChIKeyQMGURGQGSHLKHZ-UHFFFAOYSA-N
XLogP5.97
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)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

N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide (CID 129206342) is 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide is Cc1[nH]c2ccc(Oc3ccc(C(=O)Nc4cccc(F)c4)cc3)cc2c1C.
What is the InChIKey of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide?
The InChIKey is QMGURGQGSHLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14-15(2)25-22-11-10-20(13-21(14)22)28-19-8-6-16(7-9-19)23(27)26-18-5-3-4-17(24)12-18/h3-13,25H,1-2H3,(H,26,27).
What are the key properties of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide?
4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide has a molecular weight of 374.42 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 129206342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).