tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate

C15H18Cl2N2O2 — CID 170427733

IUPACtert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,3)21-14(20)18-7-6-10-8-9-4-5-11(16)12(17)13(9)19-10/h4-5,8,19H,6-7H2,1-3H3,(H,18,20)
InChIKeyWWKDWROKZJSCRU-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.54
Rot. Bonds3

About tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate

tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate (PubChem CID 170427733) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate
PubChem CID170427733
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Nametert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,3)21-14(20)18-7-6-10-8-9-4-5-11(16)12(17)13(9)19-10/h4-5,8,19H,6-7H2,1-3H3,(H,18,20)
InChIKeyWWKDWROKZJSCRU-UHFFFAOYSA-N
XLogP4.54
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]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

(s)-1-(6,7-Dichloro-1-methyl-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
CID 170666990
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-[3-(diethylamino)propyl]-2-methoxypenta-2,4-dienamide
CID 9979752
methyl [(5-chloro-1H-indol-2-yl)methyl]carbamate
CID 1245948
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-[3-(diethylamino)propyl]-2-methoxypenta-2,4-dienamide;hydrochloride
CID 44533109
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxypenta-2,4-dienamide
CID 44533142
tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 54585673
1-(6,7-Dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methoxyethanone
CID 139388841
(r)-1-(6,7-Dichloro-1-methyl-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
CID 170666968
1-[(3R)-6,7-dichloro-3-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 163227271
1-[(3S)-6,7-dichloro-3-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 170666972
methyl N-[2-[2-[C-(4-chlorophenyl)-N-methylcarbonimidoyl]-1H-indol-3-yl]ethyl]carbamate
CID 155517000
tert-butyl (S)-(1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl)carbamate
CID 66965464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate (CID 170427733) is tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc2ccc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate?
The InChIKey is WWKDWROKZJSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-15(2,3)21-14(20)18-7-6-10-8-9-4-5-11(16)12(17)13(9)19-10/h4-5,8,19H,6-7H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate has a molecular weight of 329.23 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6,7-dichloro-1H-indol-2-yl)ethyl]carbamate is sourced from PubChem (CID 170427733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).