2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone

C17H17NO — CID 669367

IUPAC2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C17H17NO/c1-12-7-8-15(11-13(12)2)17(19)18-10-9-14-5-3-4-6-16(14)18/h3-8,11H,9-10H2,1-2H3
InChIKeyNHTJJTZWMJAHQH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.51
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone

2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone (PubChem CID 669367) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
PubChem CID669367
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C17H17NO/c1-12-7-8-15(11-13(12)2)17(19)18-10-9-14-5-3-4-6-16(14)18/h3-8,11H,9-10H2,1-2H3
InChIKeyNHTJJTZWMJAHQH-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone (CID 669367) is 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone?
The InChIKey is NHTJJTZWMJAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-7-8-15(11-13(12)2)17(19)18-10-9-14-5-3-4-6-16(14)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone?
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 669367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).