1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide

C18H18N2O3 — CID 53160326

IUPAC1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C18H18N2O3/c1-19-17(21)14-4-3-12-9-10-20(16(12)11-14)18(22)13-5-7-15(23-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyWQXSENWHVUWNFG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.26
Rot. Bonds3

About 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide

1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide (PubChem CID 53160326) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
PubChem CID53160326
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C18H18N2O3/c1-19-17(21)14-4-3-12-9-10-20(16(12)11-14)18(22)13-5-7-15(23-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyWQXSENWHVUWNFG-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099252
4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
CID 100785320
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
CID 100788776
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
2-cyclopentyl-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099268
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide (CID 53160326) is 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide is CNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is WQXSENWHVUWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-17(21)14-4-3-12-9-10-20(16(12)11-14)18(22)13-5-7-15(23-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide?
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).