2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole

C16H16ClN — CID 5035963

IUPAC2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1ccccc1Cl)C2
InChIInChI=1S/C16H16ClN/c1-2-11-6-5-7-12-10-15(18-16(11)12)13-8-3-4-9-14(13)17/h3-9,15,18H,2,10H2,1H3
InChIKeyUNEOMDJKWDNYCA-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.61
Rot. Bonds2

About 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole

2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole (PubChem CID 5035963) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
PubChem CID5035963
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1ccccc1Cl)C2
InChIInChI=1S/C16H16ClN/c1-2-11-6-5-7-12-10-15(18-16(11)12)13-8-3-4-9-14(13)17/h3-9,15,18H,2,10H2,1H3
InChIKeyUNEOMDJKWDNYCA-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4312167
2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 3345458
7-ethyl-3-(7-ethyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 132837418
7-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 22759546
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384
6-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030559
3-(2-chlorophenyl)-4-(2-ethylphenyl)piperidine
CID 79439447
7-chloro-2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3469469
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
CID 130615199
2-(2,4-dichlorophenyl)-2,3-dihydro-1H-indole
CID 4019542
7-chloro-2-pyridin-3-yl-2,3-dihydro-1H-indole
CID 5137664

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole (CID 5035963) is 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole is CCc1cccc2c1NC(c1ccccc1Cl)C2.
What is the InChIKey of 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The InChIKey is UNEOMDJKWDNYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-2-11-6-5-7-12-10-15(18-16(11)12)13-8-3-4-9-14(13)17/h3-9,15,18H,2,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole has a molecular weight of 257.76 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 5035963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).