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

C19H18N2O2 — CID 97086326

IUPACN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide
SMILESC[C@@H](NC(=O)c1cccc2cc[nH]c12)[C@@H]1COc2ccccc21
InChIInChI=1S/C19H18N2O2/c1-12(16-11-23-17-8-3-2-6-14(16)17)21-19(22)15-7-4-5-13-9-10-20-18(13)15/h2-10,12,16,20H,11H2,1H3,(H,21,22)/t12-,16+/m1/s1
InChIKeySYXYUFMOEGSQDV-WBMJQRKESA-N
MW306.37 g/mol
LogP3.46
Rot. Bonds3

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

N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide (PubChem CID 97086326) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide
PubChem CID97086326
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide
SMILESC[C@@H](NC(=O)c1cccc2cc[nH]c12)[C@@H]1COc2ccccc21
InChIInChI=1S/C19H18N2O2/c1-12(16-11-23-17-8-3-2-6-14(16)17)21-19(22)15-7-4-5-13-9-10-20-18(13)15/h2-10,12,16,20H,11H2,1H3,(H,21,22)/t12-,16+/m1/s1
InChIKeySYXYUFMOEGSQDV-WBMJQRKESA-N
XLogP3.46
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 97086331
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 97086330
1-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326853
1-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326852
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 109399087
4-acetyl-N-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]thiophene-2-carboxamide
CID 75389262
1-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[(3S)-3-[(S)-methylsulfinyl]butyl]urea
CID 97242514
4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide
CID 97242912
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
CID 71983052
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 91650517

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide (CID 97086326) is N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide is C[C@@H](NC(=O)c1cccc2cc[nH]c12)[C@@H]1COc2ccccc21.
What is the InChIKey of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide?
The InChIKey is SYXYUFMOEGSQDV-WBMJQRKESA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(16-11-23-17-8-3-2-6-14(16)17)21-19(22)15-7-4-5-13-9-10-20-18(13)15/h2-10,12,16,20H,11H2,1H3,(H,21,22)/t12-,16+/m1/s1.
What are the key properties of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide?
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 97086326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).