tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate

C14H17ClN2O2 — CID 157342432

IUPACtert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=Nc2ccc(Cl)cc2C1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,3)19-13(18)16-8-11-7-9-6-10(15)4-5-12(9)17-11/h4-6H,7-8H2,1-3H3,(H,16,18)
InChIKeyFYIMZJZFRLOHFK-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate

tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate (PubChem CID 157342432) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
PubChem CID157342432
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Nametert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=Nc2ccc(Cl)cc2C1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,3)19-13(18)16-8-11-7-9-6-10(15)4-5-12(9)17-11/h4-6H,7-8H2,1-3H3,(H,16,18)
InChIKeyFYIMZJZFRLOHFK-UHFFFAOYSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]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-(3H-indol-2-ylmethyl)carbamate
CID 158414573
tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate
CID 123920794
[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 7146376
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
6-chloro-N-[(5-chloro-3H-indol-2-yl)methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 160588209
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
tert-butyl N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]carbamate
CID 9209944
tert-butyl N-[[3-(3-chloroanilino)phenyl]methyl]carbamate
CID 110452782
tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
CID 19958483
tert-butyl N-[(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]carbamate
CID 165066917
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate (CID 157342432) is tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1=Nc2ccc(Cl)cc2C1.
What is the InChIKey of tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate?
The InChIKey is FYIMZJZFRLOHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(2,3)19-13(18)16-8-11-7-9-6-10(15)4-5-12(9)17-11/h4-6H,7-8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate?
tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate has a molecular weight of 280.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate is sourced from PubChem (CID 157342432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).