N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide

C20H18N2O2 — CID 39976177

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O2/c1-13(19-12-15-8-4-6-10-18(15)24-19)22(2)20(23)17-11-14-7-3-5-9-16(14)21-17/h3-13,21H,1-2H3/t13-/m1/s1
InChIKeyHFXJOTZEVSKQAY-CYBMUJFWSA-N
MW318.38 g/mol
LogP4.75
Rot. Bonds3

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 39976177) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID39976177
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O2/c1-13(19-12-15-8-4-6-10-18(15)24-19)22(2)20(23)17-11-14-7-3-5-9-16(14)21-17/h3-13,21H,1-2H3/t13-/m1/s1
InChIKeyHFXJOTZEVSKQAY-CYBMUJFWSA-N
XLogP4.75
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzamide
CID 42946017

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide (CID 39976177) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide is C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is HFXJOTZEVSKQAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13(19-12-15-8-4-6-10-18(15)24-19)22(2)20(23)17-11-14-7-3-5-9-16(14)21-17/h3-13,21H,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 39976177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).