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3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

C23H17Cl2NO2 — CID 139703911

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccccc3Cl)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C23H17Cl2NO2/c1-14-6-11-20-18(12-14)21(15-7-9-17(24)10-8-15)22(28-20)23(27)26-13-16-4-2-3-5-19(16)25/h2-12H,13H2,1H3,(H,26,27)
InChIKeyOYSSATYSUIEKIT-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.65
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 139703911) has the molecular formula C23H17Cl2NO2 and a molecular weight of 410.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID139703911
Molecular FormulaC23H17Cl2NO2
Molecular Weight410.30 g/mol
Exact Mass409.06
IUPAC Name3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccccc3Cl)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C23H17Cl2NO2/c1-14-6-11-20-18(12-14)21(15-7-9-17(24)10-8-15)22(28-20)23(27)26-13-16-4-2-3-5-19(16)25/h2-12H,13H2,1H3,(H,26,27)
InChIKeyOYSSATYSUIEKIT-UHFFFAOYSA-N
XLogP6.65
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (CID 139703911) is 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCc3ccccc3Cl)c(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OYSSATYSUIEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO2/c1-14-6-11-20-18(12-14)21(15-7-9-17(24)10-8-15)22(28-20)23(27)26-13-16-4-2-3-5-19(16)25/h2-12H,13H2,1H3,(H,26,27).
What are the key properties of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 139703911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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