3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C19H21ClN2O — CID 109038364

IUPAC3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1c(Cl)cccc1NCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C19H21ClN2O/c1-13-12-15-6-3-4-9-18(15)22(13)19(23)10-11-21-17-8-5-7-16(20)14(17)2/h3-9,13,21H,10-12H2,1-2H3
InChIKeyQCDYAXWNEMHQKA-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.43
Rot. Bonds4

About 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 109038364) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID109038364
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1c(Cl)cccc1NCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C19H21ClN2O/c1-13-12-15-6-3-4-9-18(15)22(13)19(23)10-11-21-17-8-5-7-16(20)14(17)2/h3-9,13,21H,10-12H2,1-2H3
InChIKeyQCDYAXWNEMHQKA-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(2-propan-2-ylanilino)propan-1-one
CID 109036822
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(trifluoromethyl)anilino]propan-1-one
CID 109040861
3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109042608
methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041537
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109033489
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 109038364) is 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is Cc1c(Cl)cccc1NCCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is QCDYAXWNEMHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-12-15-6-3-4-9-18(15)22(13)19(23)10-11-21-17-8-5-7-16(20)14(17)2/h3-9,13,21H,10-12H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 328.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 109038364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).