N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride

C53H37Cl3F2N4O6 — CID 158630147

IUPACN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C29H20Cl2FN3O3.C24H17ClFNO3/c30-24-13-33-14-25(31)27(24)34-29(37)28(36)23-16-35(15-18-6-8-20(32)9-7-18)26-11-10-21(12-22(23)26)38-17-19-4-2-1-3-5-19;25-24(29)23(28)21-14-27(13-16-6-8-18(26)9-7-16)22-11-10-19(12-20(21)22)30-15-17-4-2-1-3-5-17/h1-14,16H,15,17H2,(H,33,34,37);1-12,14H,13,15H2
InChIKeyHZBZDOLYPLFFFM-UHFFFAOYSA-N
MW970.26 g/mol
LogP12.29
Rot. Bonds15

About N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride

N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride (PubChem CID 158630147) has the molecular formula C53H37Cl3F2N4O6 and a molecular weight of 970.26 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride
PubChem CID158630147
Molecular FormulaC53H37Cl3F2N4O6
Molecular Weight970.26 g/mol
Exact Mass968.17
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C29H20Cl2FN3O3.C24H17ClFNO3/c30-24-13-33-14-25(31)27(24)34-29(37)28(36)23-16-35(15-18-6-8-20(32)9-7-18)26-11-10-21(12-22(23)26)38-17-19-4-2-1-3-5-19;25-24(29)23(28)21-14-27(13-16-6-8-18(26)9-7-16)22-11-10-19(12-20(21)22)30-15-17-4-2-1-3-5-17/h1-14,16H,15,17H2,(H,33,34,37);1-12,14H,13,15H2
InChIKeyHZBZDOLYPLFFFM-UHFFFAOYSA-N
XLogP12.29
TPSA121.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.26
LogP ≤ 512.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride (CID 158630147) is N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride is O=C(Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride?
The InChIKey is HZBZDOLYPLFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2FN3O3.C24H17ClFNO3/c30-24-13-33-14-25(31)27(24)34-29(37)28(36)23-16-35(15-18-6-8-20(32)9-7-18)26-11-10-21(12-22(23)26)38-17-19-4-2-1-3-5-19;25-24(29)23(28)21-14-27(13-16-6-8-18(26)9-7-16)22-11-10-19(12-20(21)22)30-15-17-4-2-1-3-5-17/h1-14,16H,15,17H2,(H,33,34,37);1-12,14H,13,15H2.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride?
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride has a molecular weight of 970.26 g/mol, XLogP of 12.29, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetyl chloride is sourced from PubChem (CID 158630147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).