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

C21H19N3O4 — CID 55910139

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C21H19N3O4/c1-3-18-15(14-8-4-5-10-19(14)28-18)12-23(2)21(25)16-11-13-7-6-9-17(24(26)27)20(13)22-16/h4-11,22H,3,12H2,1-2H3
InChIKeyYZADRWNGWHOSRP-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.66
Rot. Bonds5

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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide (PubChem CID 55910139) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide
PubChem CID55910139
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C21H19N3O4/c1-3-18-15(14-8-4-5-10-19(14)28-18)12-23(2)21(25)16-11-13-7-6-9-17(24(26)27)20(13)22-16/h4-11,22H,3,12H2,1-2H3
InChIKeyYZADRWNGWHOSRP-UHFFFAOYSA-N
XLogP4.66
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 55452574
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55759840
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 84593385
3-(2-chloro-5-nitrophenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563878
N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94836383
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
CID 55650392
2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119694671

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide (CID 55910139) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide?
The InChIKey is YZADRWNGWHOSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-3-18-15(14-8-4-5-10-19(14)28-18)12-23(2)21(25)16-11-13-7-6-9-17(24(26)27)20(13)22-16/h4-11,22H,3,12H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 55910139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).