N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C26H20ClFN2O2 — CID 35182311

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)oc2ccc(F)cc12
InChIInChI=1S/C26H20ClFN2O2/c1-15-19-12-16(28)10-11-24(19)32-25(15)26(31)30-14-20(17-6-2-4-8-22(17)27)21-13-29-23-9-5-3-7-18(21)23/h2-13,20,29H,14H2,1H3,(H,30,31)/t20-/m0/s1
InChIKeyWBJWLEDQJIILOC-FQEVSTJZSA-N
MW446.91 g/mol
LogP6.58
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 35182311) has the molecular formula C26H20ClFN2O2 and a molecular weight of 446.91 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID35182311
Molecular FormulaC26H20ClFN2O2
Molecular Weight446.91 g/mol
Exact Mass446.12
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)oc2ccc(F)cc12
InChIInChI=1S/C26H20ClFN2O2/c1-15-19-12-16(28)10-11-24(19)32-25(15)26(31)30-14-20(17-6-2-4-8-22(17)27)21-13-29-23-9-5-3-7-18(21)23/h2-13,20,29H,14H2,1H3,(H,30,31)/t20-/m0/s1
InChIKeyWBJWLEDQJIILOC-FQEVSTJZSA-N
XLogP6.58
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.91
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
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2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 35182311) is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)oc2ccc(F)cc12.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WBJWLEDQJIILOC-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H20ClFN2O2/c1-15-19-12-16(28)10-11-24(19)32-25(15)26(31)30-14-20(17-6-2-4-8-22(17)27)21-13-29-23-9-5-3-7-18(21)23/h2-13,20,29H,14H2,1H3,(H,30,31)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 446.91 g/mol, XLogP of 6.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35182311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).