ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate

C14H15ClFNO3 — CID 134102666

IUPACethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c2cc(C(C)C)oc12
InChIInChI=1S/C14H15ClFNO3/c1-4-19-14(18)17-12-10(16)6-9(15)8-5-11(7(2)3)20-13(8)12/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyKRMRDLBTWBFLQQ-UHFFFAOYSA-N
MW299.73 g/mol
LogP4.92
Rot. Bonds3

About ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate

ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate (PubChem CID 134102666) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate
PubChem CID134102666
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Nameethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c2cc(C(C)C)oc12
InChIInChI=1S/C14H15ClFNO3/c1-4-19-14(18)17-12-10(16)6-9(15)8-5-11(7(2)3)20-13(8)12/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyKRMRDLBTWBFLQQ-UHFFFAOYSA-N
XLogP4.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate?
The IUPAC name of ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate (CID 134102666) is ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate.
What is the SMILES notation for ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate?
The canonical SMILES for ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate is CCOC(=O)Nc1c(F)cc(Cl)c2cc(C(C)C)oc12.
What is the InChIKey of ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate?
The InChIKey is KRMRDLBTWBFLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-4-19-14(18)17-12-10(16)6-9(15)8-5-11(7(2)3)20-13(8)12/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate?
ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate has a molecular weight of 299.73 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chloro-6-fluoro-2-propan-2-yl-1-benzofuran-7-yl)carbamate is sourced from PubChem (CID 134102666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).