N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide

C17H16N2O2 — CID 113207365

IUPACN-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-12-9-16(19-15(12)8-11)17(20)18-13-4-3-5-14(10-13)21-2/h3-10,19H,1-2H3,(H,18,20)
InChIKeyFLFKXDQLAVODGF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.74
Rot. Bonds3

About N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide

N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 113207365) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID113207365
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-12-9-16(19-15(12)8-11)17(20)18-13-4-3-5-14(10-13)21-2/h3-10,19H,1-2H3,(H,18,20)
InChIKeyFLFKXDQLAVODGF-UHFFFAOYSA-N
XLogP3.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 60552543
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 86979172
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide (CID 113207365) is N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide is COc1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is FLFKXDQLAVODGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-7-12-9-16(19-15(12)8-11)17(20)18-13-4-3-5-14(10-13)21-2/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide?
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113207365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).