1-benzyl-5-chloro-2,3-dihydroindole

C15H14ClN — CID 12733465

IUPAC1-benzyl-5-chloro-2,3-dihydroindole
SMILESClc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C15H14ClN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyVYTIHBBOMLYYMT-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.90
Rot. Bonds2

About 1-benzyl-5-chloro-2,3-dihydroindole

1-benzyl-5-chloro-2,3-dihydroindole (PubChem CID 12733465) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzyl-5-chloro-2,3-dihydroindole
PubChem CID12733465
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name1-benzyl-5-chloro-2,3-dihydroindole
SMILESClc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C15H14ClN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyVYTIHBBOMLYYMT-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-but-2-enedioic acid;[3-[(5-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 13324737
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole
CID 76850753
6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 78860791
5-chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
CID 155552818
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
CID 115107244
2,2,2-trifluoroethyl 1-benzyl-2,3-dihydroindole-5-carboxylate
CID 156703137
2-(1-benzyl-2,3-dihydroindol-5-yl)-1-cyanoguanidine
CID 176548552
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2,3-dihydroindole?
The IUPAC name of 1-benzyl-5-chloro-2,3-dihydroindole (CID 12733465) is 1-benzyl-5-chloro-2,3-dihydroindole.
What is the SMILES notation for 1-benzyl-5-chloro-2,3-dihydroindole?
The canonical SMILES for 1-benzyl-5-chloro-2,3-dihydroindole is Clc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-2,3-dihydroindole?
The InChIKey is VYTIHBBOMLYYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 1-benzyl-5-chloro-2,3-dihydroindole?
1-benzyl-5-chloro-2,3-dihydroindole has a molecular weight of 243.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2,3-dihydroindole is sourced from PubChem (CID 12733465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).