4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide

C19H18N2O2 — CID 167777712

IUPAC4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide
SMILESCC1(C)Cc2cccc(-c3cccc4[nH]c(C(N)=O)cc34)c2O1
InChIInChI=1S/C19H18N2O2/c1-19(2)10-11-5-3-7-13(17(11)23-19)12-6-4-8-15-14(12)9-16(21-15)18(20)22/h3-9,21H,10H2,1-2H3,(H2,20,22)
InChIKeyJHZBRHWJEKKYPN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.65
Rot. Bonds2

About 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide

4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide (PubChem CID 167777712) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide
PubChem CID167777712
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide
SMILESCC1(C)Cc2cccc(-c3cccc4[nH]c(C(N)=O)cc34)c2O1
InChIInChI=1S/C19H18N2O2/c1-19(2)10-11-5-3-7-13(17(11)23-19)12-6-4-8-15-14(12)9-16(21-15)18(20)22/h3-9,21H,10H2,1-2H3,(H2,20,22)
InChIKeyJHZBRHWJEKKYPN-UHFFFAOYSA-N
XLogP3.65
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide (CID 167777712) is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide is CC1(C)Cc2cccc(-c3cccc4[nH]c(C(N)=O)cc34)c2O1.
What is the InChIKey of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide?
The InChIKey is JHZBRHWJEKKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(2)10-11-5-3-7-13(17(11)23-19)12-6-4-8-15-14(12)9-16(21-15)18(20)22/h3-9,21H,10H2,1-2H3,(H2,20,22).
What are the key properties of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide?
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167777712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).