N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide

C19H18N2O4 — CID 18367970

IUPACN-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
SMILESCOc1cc2[nH]c(C(=O)c3ccccc3)c(NC(C)=O)c2cc1OC
InChIInChI=1S/C19H18N2O4/c1-11(22)20-17-13-9-15(24-2)16(25-3)10-14(13)21-18(17)19(23)12-7-5-4-6-8-12/h4-10,21H,1-3H3,(H,20,22)
InChIKeyWWHMRNXGIVFLNT-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.37
Rot. Bonds5

About N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide

N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide (PubChem CID 18367970) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
PubChem CID18367970
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
SMILESCOc1cc2[nH]c(C(=O)c3ccccc3)c(NC(C)=O)c2cc1OC
InChIInChI=1S/C19H18N2O4/c1-11(22)20-17-13-9-15(24-2)16(25-3)10-14(13)21-18(17)19(23)12-7-5-4-6-8-12/h4-10,21H,1-3H3,(H,20,22)
InChIKeyWWHMRNXGIVFLNT-UHFFFAOYSA-N
XLogP3.37
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
CID 18368049
methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate
CID 660254
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767
N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155543225
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
CID 11522202
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034
2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
CID 18368099
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide (CID 18367970) is N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide is COc1cc2[nH]c(C(=O)c3ccccc3)c(NC(C)=O)c2cc1OC.
What is the InChIKey of N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide?
The InChIKey is WWHMRNXGIVFLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(22)20-17-13-9-15(24-2)16(25-3)10-14(13)21-18(17)19(23)12-7-5-4-6-8-12/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide?
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide has a molecular weight of 338.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 18367970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).