N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride

C17H17ClN2O2 — CID 24761056

IUPACN-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3)[nH]c2c1.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-21-14-8-7-13-9-16(19-15(13)10-14)17(20)18-11-12-5-3-2-4-6-12;/h2-10,19H,11H2,1H3,(H,18,20);1H
InChIKeyNEVYOYVQLVUTQS-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.53
Rot. Bonds4

About N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride

N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride (PubChem CID 24761056) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride
PubChem CID24761056
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3)[nH]c2c1.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-21-14-8-7-13-9-16(19-15(13)10-14)17(20)18-11-12-5-3-2-4-6-12;/h2-10,19H,11H2,1H3,(H,18,20);1H
InChIKeyNEVYOYVQLVUTQS-UHFFFAOYSA-N
XLogP3.53
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride (CID 24761056) is N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride is COc1ccc2cc(C(=O)NCc3ccccc3)[nH]c2c1.Cl.
What is the InChIKey of N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is NEVYOYVQLVUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.ClH/c1-21-14-8-7-13-9-16(19-15(13)10-14)17(20)18-11-12-5-3-2-4-6-12;/h2-10,19H,11H2,1H3,(H,18,20);1H.
What are the key properties of N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride?
N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 24761056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).