tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate

C13H14ClNO3 — CID 68577429

IUPACtert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(Cl)ccc2ccoc12
InChIInChI=1S/C13H14ClNO3/c1-13(2,3)18-12(16)15-10-9(14)5-4-8-6-7-17-11(8)10/h4-7H,1-3H3,(H,15,16)
InChIKeyFBDDQHPTNOSSGW-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.43
Rot. Bonds1

About tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate

tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate (PubChem CID 68577429) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate
PubChem CID68577429
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nametert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(Cl)ccc2ccoc12
InChIInChI=1S/C13H14ClNO3/c1-13(2,3)18-12(16)15-10-9(14)5-4-8-6-7-17-11(8)10/h4-7H,1-3H3,(H,15,16)
InChIKeyFBDDQHPTNOSSGW-UHFFFAOYSA-N
XLogP4.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate (CID 68577429) is tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate is CC(C)(C)OC(=O)Nc1c(Cl)ccc2ccoc12.
What is the InChIKey of tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate?
The InChIKey is FBDDQHPTNOSSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-13(2,3)18-12(16)15-10-9(14)5-4-8-6-7-17-11(8)10/h4-7H,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate?
tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate has a molecular weight of 267.71 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-1-benzofuran-7-yl)carbamate is sourced from PubChem (CID 68577429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).