methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate

C18H16N2O4 — CID 134062049

IUPACmethyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-14-8-5-12-9-16(20-15(12)10-14)17(21)19-13-6-3-11(4-7-13)18(22)24-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyBNWQHVPUTVQOQD-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.22
Rot. Bonds4

About methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate

methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate (PubChem CID 134062049) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
PubChem CID134062049
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-14-8-5-12-9-16(20-15(12)10-14)17(21)19-13-6-3-11(4-7-13)18(22)24-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyBNWQHVPUTVQOQD-UHFFFAOYSA-N
XLogP3.22
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methoxy-1H-indole-2-carboxamide
CID 172935644
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506353
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 33379841
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-2-carboxamide
CID 47155094
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate (CID 134062049) is methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate?
The InChIKey is BNWQHVPUTVQOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-14-8-5-12-9-16(20-15(12)10-14)17(21)19-13-6-3-11(4-7-13)18(22)24-2/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate?
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate has a molecular weight of 324.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 134062049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).