tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate

C15H19ClN2O2 — CID 138549954

IUPACtert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate
SMILESCCn1cc(Cl)c2c(NC(=O)OC(C)(C)C)cccc21
InChIInChI=1S/C15H19ClN2O2/c1-5-18-9-10(16)13-11(7-6-8-12(13)18)17-14(19)20-15(2,3)4/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyOPJOAIKMYMDQLW-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.66
Rot. Bonds2

About tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate

tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate (PubChem CID 138549954) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate
PubChem CID138549954
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Nametert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate
SMILESCCn1cc(Cl)c2c(NC(=O)OC(C)(C)C)cccc21
InChIInChI=1S/C15H19ClN2O2/c1-5-18-9-10(16)13-11(7-6-8-12(13)18)17-14(19)20-15(2,3)4/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyOPJOAIKMYMDQLW-UHFFFAOYSA-N
XLogP4.66
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-chloro-1-(2-methoxyethyl)indol-4-yl]carbamate;ethane
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2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
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tert-butyl N-(3-amino-2-chlorophenyl)carbamate
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tert-butyl N-(3-chloro-2-methanehydrazonoylphenyl)carbamate
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2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
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tert-butyl N-(2-ethynyl-3-fluorophenyl)carbamate
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tert-butyl N-[2-(chloromethyl)-3-fluorophenyl]carbamate
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tert-butyl N-(2,5-dichlorophenyl)carbamate
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[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate
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tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate (CID 138549954) is tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate is CCn1cc(Cl)c2c(NC(=O)OC(C)(C)C)cccc21.
What is the InChIKey of tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate?
The InChIKey is OPJOAIKMYMDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-5-18-9-10(16)13-11(7-6-8-12(13)18)17-14(19)20-15(2,3)4/h6-9H,5H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate?
tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate has a molecular weight of 294.78 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate is sourced from PubChem (CID 138549954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).