N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide

C19H20N2O2 — CID 112537304

IUPACN-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide
SMILESCC(=O)N(C(=O)c1ccc(C)c(C)c1)c1cccc2c1NCC2
InChIInChI=1S/C19H20N2O2/c1-12-7-8-16(11-13(12)2)19(23)21(14(3)22)17-6-4-5-15-9-10-20-18(15)17/h4-8,11,20H,9-10H2,1-3H3
InChIKeyOMYOYZSIOMCKDQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.46
Rot. Bonds2

About N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide

N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide (PubChem CID 112537304) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide
PubChem CID112537304
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide
SMILESCC(=O)N(C(=O)c1ccc(C)c(C)c1)c1cccc2c1NCC2
InChIInChI=1S/C19H20N2O2/c1-12-7-8-16(11-13(12)2)19(23)21(14(3)22)17-6-4-5-15-9-10-20-18(15)17/h4-8,11,20H,9-10H2,1-3H3
InChIKeyOMYOYZSIOMCKDQ-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide
CID 112537239
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-1,3-benzodioxole-5-carboxamide
CID 112537481
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562030
6-methyl-2,3-dihydro-1H-indol-7-ol
CID 84649314
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537452
S-methyl 2,3-dihydro-1H-indole-7-carbothioate
CID 14547561
4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 120848272
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
7-methyl-2,3-dihydro-1H-indol-4-ol
CID 83872441
(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
CID 13408232
6,7-dimethyl-2,3-dihydro-1H-indole
CID 16792444
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide
CID 112537467

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide (CID 112537304) is N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide is CC(=O)N(C(=O)c1ccc(C)c(C)c1)c1cccc2c1NCC2.
What is the InChIKey of N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide?
The InChIKey is OMYOYZSIOMCKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-7-8-16(11-13(12)2)19(23)21(14(3)22)17-6-4-5-15-9-10-20-18(15)17/h4-8,11,20H,9-10H2,1-3H3.
What are the key properties of N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide?
N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2,3-dihydro-1H-indol-7-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 112537304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).