methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate

C18H16N2O3 — CID 113207378

IUPACmethyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C18H16N2O3/c1-11-6-7-12-10-16(20-15(12)8-11)17(21)19-14-5-3-4-13(9-14)18(22)23-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyTYNQAOJBNFWQIN-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.52
Rot. Bonds3

About methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate

methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate (PubChem CID 113207378) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
PubChem CID113207378
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C18H16N2O3/c1-11-6-7-12-10-16(20-15(12)8-11)17(21)19-14-5-3-4-13(9-14)18(22)23-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyTYNQAOJBNFWQIN-UHFFFAOYSA-N
XLogP3.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
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
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 60552543
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
CID 110861662

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate (CID 113207378) is methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1.
What is the InChIKey of methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate?
The InChIKey is TYNQAOJBNFWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-6-7-12-10-16(20-15(12)8-11)17(21)19-14-5-3-4-13(9-14)18(22)23-2/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate?
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate has a molecular weight of 308.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 113207378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).