N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide

C19H15BrN2O2 — CID 55728962

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1[nH]c2ccccc2c1Br)c1cc2ccccc2o1
InChIInChI=1S/C19H15BrN2O2/c1-11(16-10-12-6-2-5-9-15(12)24-16)21-19(23)18-17(20)13-7-3-4-8-14(13)22-18/h2-11,22H,1H3,(H,21,23)
InChIKeyJXLNMRJRUPREPJ-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.17
Rot. Bonds3

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

N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide (PubChem CID 55728962) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
PubChem CID55728962
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1[nH]c2ccccc2c1Br)c1cc2ccccc2o1
InChIInChI=1S/C19H15BrN2O2/c1-11(16-10-12-6-2-5-9-15(12)24-16)21-19(23)18-17(20)13-7-3-4-8-14(13)22-18/h2-11,22H,1H3,(H,21,23)
InChIKeyJXLNMRJRUPREPJ-UHFFFAOYSA-N
XLogP5.17
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-methylbutanoic acid
CID 100635841
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 43060113
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 86807706
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-methoxyisoquinoline-3-carboxamide
CID 95274404
2-[(3-bromo-1H-indole-2-carbonyl)amino]propanediamide
CID 47323201
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
methyl (3R)-3-[(3-bromo-1H-indole-2-carbonyl)amino]butanoate
CID 95933777

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide (CID 55728962) is N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide is CC(NC(=O)c1[nH]c2ccccc2c1Br)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide?
The InChIKey is JXLNMRJRUPREPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-11(16-10-12-6-2-5-9-15(12)24-16)21-19(23)18-17(20)13-7-3-4-8-14(13)22-18/h2-11,22H,1H3,(H,21,23).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 5.17, 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]-3-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 55728962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).