tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate

C13H17ClN2O2 — CID 117110659

IUPACtert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2c(cc1Cl)CCN2
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-11-7-10-8(4-5-15-10)6-9(11)14/h6-7,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyIACKTPCRMXFVNW-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate

tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate (PubChem CID 117110659) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate
PubChem CID117110659
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Nametert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2c(cc1Cl)CCN2
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-11-7-10-8(4-5-15-10)6-9(11)14/h6-7,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyIACKTPCRMXFVNW-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate 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

tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274563
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274564
tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate
CID 117274629
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
tert-butyl N-(2-chloro-4-fluoro-5-formylphenyl)carbamate
CID 84810121
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-[5-(2,2-dimethylundecanoylamino)-2,3-dihydro-1H-indol-7-yl]carbamate
CID 174520925
tert-butyl N-[2-chloro-4-(chloromethyl)phenyl]carbamate
CID 117236536
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate (CID 117110659) is tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2c(cc1Cl)CCN2.
What is the InChIKey of tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate?
The InChIKey is IACKTPCRMXFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-11-7-10-8(4-5-15-10)6-9(11)14/h6-7,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate?
tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate has a molecular weight of 268.74 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate is sourced from PubChem (CID 117110659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).