N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide

C20H18N2O2 — CID 3244822

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C
InChIInChI=1S/C20H18N2O2/c1-13-9-16-10-14(7-8-17(16)22(13)2)12-21-20(23)19-11-15-5-3-4-6-18(15)24-19/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyZJVZRHBVSDKYIE-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.16
Rot. Bonds3

About N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide

N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 3244822) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID3244822
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C
InChIInChI=1S/C20H18N2O2/c1-13-9-16-10-14(7-8-17(16)22(13)2)12-21-20(23)19-11-15-5-3-4-6-18(15)24-19/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyZJVZRHBVSDKYIE-UHFFFAOYSA-N
XLogP4.16
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46487608
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 110668205
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 3244822) is N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZJVZRHBVSDKYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-9-16-10-14(7-8-17(16)22(13)2)12-21-20(23)19-11-15-5-3-4-6-18(15)24-19/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3244822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).