N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide

C21H18N2O2 — CID 71891274

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C21H18N2O2/c1-23(13-15-7-3-5-9-20(15)24)21(25)19-12-17-16-8-4-2-6-14(16)10-11-18(17)22-19/h2-12,22,24H,13H2,1H3
InChIKeyLOVZQUJYOLIYQU-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.30
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide (PubChem CID 71891274) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide
PubChem CID71891274
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C21H18N2O2/c1-23(13-15-7-3-5-9-20(15)24)21(25)19-12-17-16-8-4-2-6-14(16)10-11-18(17)22-19/h2-12,22,24H,13H2,1H3
InChIKeyLOVZQUJYOLIYQU-UHFFFAOYSA-N
XLogP4.30
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide (CID 71891274) is N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide is CN(Cc1ccccc1O)C(=O)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide?
The InChIKey is LOVZQUJYOLIYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-23(13-15-7-3-5-9-20(15)24)21(25)19-12-17-16-8-4-2-6-14(16)10-11-18(17)22-19/h2-12,22,24H,13H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 71891274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).