5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole

C16H15ClFNO — CID 4311958

IUPAC5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cc(Cl)cc(F)c3N2)cc1C
InChIInChI=1S/C16H15ClFNO/c1-9-5-10(3-4-15(9)20-2)14-7-11-6-12(17)8-13(18)16(11)19-14/h3-6,8,14,19H,7H2,1-2H3
InChIKeyUMFXJDFNNYWIAQ-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.51
Rot. Bonds2

About 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole

5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 4311958) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID4311958
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cc(Cl)cc(F)c3N2)cc1C
InChIInChI=1S/C16H15ClFNO/c1-9-5-10(3-4-15(9)20-2)14-7-11-6-12(17)8-13(18)16(11)19-14/h3-6,8,14,19H,7H2,1-2H3
InChIKeyUMFXJDFNNYWIAQ-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
CID 4045651
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030733
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3403694
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole
CID 4202417
5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 3662859
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3427324
5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole
CID 3306331
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole (CID 4311958) is 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole is COc1ccc(C2Cc3cc(Cl)cc(F)c3N2)cc1C.
What is the InChIKey of 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is UMFXJDFNNYWIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-9-5-10(3-4-15(9)20-2)14-7-11-6-12(17)8-13(18)16(11)19-14/h3-6,8,14,19H,7H2,1-2H3.
What are the key properties of 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 291.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4311958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).