N-benzyl-2-methyl-1H-indole-5-carboxamide

C17H16N2O — CID 110695037

IUPACN-benzyl-2-methyl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C17H16N2O/c1-12-9-15-10-14(7-8-16(15)19-12)17(20)18-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyWMEQXYOZJBWTAR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.41
Rot. Bonds3

About N-benzyl-2-methyl-1H-indole-5-carboxamide

N-benzyl-2-methyl-1H-indole-5-carboxamide (PubChem CID 110695037) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-benzyl-2-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-1H-indole-5-carboxamide
PubChem CID110695037
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-benzyl-2-methyl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C17H16N2O/c1-12-9-15-10-14(7-8-16(15)19-12)17(20)18-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyWMEQXYOZJBWTAR-UHFFFAOYSA-N
XLogP3.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 171676575
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-1H-indole-5-carboxamide?
The IUPAC name of N-benzyl-2-methyl-1H-indole-5-carboxamide (CID 110695037) is N-benzyl-2-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-1H-indole-5-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-1H-indole-5-carboxamide is Cc1cc2cc(C(=O)NCc3ccccc3)ccc2[nH]1.
What is the InChIKey of N-benzyl-2-methyl-1H-indole-5-carboxamide?
The InChIKey is WMEQXYOZJBWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-9-15-10-14(7-8-16(15)19-12)17(20)18-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-methyl-1H-indole-5-carboxamide?
N-benzyl-2-methyl-1H-indole-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 110695037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).