N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide

C21H20N2O2 — CID 43060113

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NC(C)c3cc4ccccc4o3)cccc2c1C
InChIInChI=1S/C21H20N2O2/c1-12-13(2)22-20-16(12)8-6-9-17(20)21(24)23-14(3)19-11-15-7-4-5-10-18(15)25-19/h4-11,14,22H,1-3H3,(H,23,24)
InChIKeyVLPQCNHWAFLTBG-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.02
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 43060113) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID43060113
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NC(C)c3cc4ccccc4o3)cccc2c1C
InChIInChI=1S/C21H20N2O2/c1-12-13(2)22-20-16(12)8-6-9-17(20)21(24)23-14(3)19-11-15-7-4-5-10-18(15)25-19/h4-11,14,22H,1-3H3,(H,23,24)
InChIKeyVLPQCNHWAFLTBG-UHFFFAOYSA-N
XLogP5.02
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
N-[1-(1-benzofuran-2-yl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757137
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide
CID 16673227
N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
CID 55728962
N-[1-(1-benzofuran-2-yl)ethyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78904159
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide
CID 42461714
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 43060113) is N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NC(C)c3cc4ccccc4o3)cccc2c1C.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is VLPQCNHWAFLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-12-13(2)22-20-16(12)8-6-9-17(20)21(24)23-14(3)19-11-15-7-4-5-10-18(15)25-19/h4-11,14,22H,1-3H3,(H,23,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 43060113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).