N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide

C50H42Cl2FN5O7 — CID 158017262

IUPACN-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide
SMILESCOc1ccc(Cn2c(C)c(C(=O)C(=O)Nc3ccnc(Cl)c3)c3cc(OC)ccc32)cc1.COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C)n2Cc1ccc(F)cc1
InChIInChI=1S/C25H20ClFN2O3.C25H22ClN3O4/c1-15-23(24(30)25(31)28-19-5-3-4-17(26)12-19)21-13-20(32-2)10-11-22(21)29(15)14-16-6-8-18(27)9-7-16;1-15-23(24(30)25(31)28-17-10-11-27-22(26)12-17)20-13-19(33-3)8-9-21(20)29(15)14-16-4-6-18(32-2)7-5-16/h3-13H,14H2,1-2H3,(H,28,31);4-13H,14H2,1-3H3,(H,27,28,31)
InChIKeyFFPXLUFJNKFVLQ-UHFFFAOYSA-N
MW914.82 g/mol
LogP10.51
Rot. Bonds13

About N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide

N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide (PubChem CID 158017262) has the molecular formula C50H42Cl2FN5O7 and a molecular weight of 914.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide
PubChem CID158017262
Molecular FormulaC50H42Cl2FN5O7
Molecular Weight914.82 g/mol
Exact Mass913.24
IUPAC NameN-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide
SMILESCOc1ccc(Cn2c(C)c(C(=O)C(=O)Nc3ccnc(Cl)c3)c3cc(OC)ccc32)cc1.COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C)n2Cc1ccc(F)cc1
InChIInChI=1S/C25H20ClFN2O3.C25H22ClN3O4/c1-15-23(24(30)25(31)28-19-5-3-4-17(26)12-19)21-13-20(32-2)10-11-22(21)29(15)14-16-6-8-18(27)9-7-16;1-15-23(24(30)25(31)28-17-10-11-27-22(26)12-17)20-13-19(33-3)8-9-21(20)29(15)14-16-4-6-18(32-2)7-5-16/h3-13H,14H2,1-2H3,(H,28,31);4-13H,14H2,1-3H3,(H,27,28,31)
InChIKeyFFPXLUFJNKFVLQ-UHFFFAOYSA-N
XLogP10.51
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.82
LogP ≤ 510.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide (CID 158017262) is N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide is COc1ccc(Cn2c(C)c(C(=O)C(=O)Nc3ccnc(Cl)c3)c3cc(OC)ccc32)cc1.COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C)n2Cc1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?
The InChIKey is FFPXLUFJNKFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O3.C25H22ClN3O4/c1-15-23(24(30)25(31)28-19-5-3-4-17(26)12-19)21-13-20(32-2)10-11-22(21)29(15)14-16-6-8-18(27)9-7-16;1-15-23(24(30)25(31)28-17-10-11-27-22(26)12-17)20-13-19(33-3)8-9-21(20)29(15)14-16-4-6-18(32-2)7-5-16/h3-13H,14H2,1-2H3,(H,28,31);4-13H,14H2,1-3H3,(H,27,28,31).
What are the key properties of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?
N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide has a molecular weight of 914.82 g/mol, XLogP of 10.51, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 158017262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).