methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate

C12H10ClNO4 — CID 11108337

IUPACmethyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)c(NC(C)=O)c2ccoc12
InChIInChI=1S/C12H10ClNO4/c1-6(15)14-10-7-3-4-18-11(7)8(5-9(10)13)12(16)17-2/h3-5H,1-2H3,(H,14,15)
InChIKeyFSBBKKVSKGIHRY-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.83
Rot. Bonds2

About methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate

methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate (PubChem CID 11108337) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate
PubChem CID11108337
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Namemethyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)c(NC(C)=O)c2ccoc12
InChIInChI=1S/C12H10ClNO4/c1-6(15)14-10-7-3-4-18-11(7)8(5-9(10)13)12(16)17-2/h3-5H,1-2H3,(H,14,15)
InChIKeyFSBBKKVSKGIHRY-UHFFFAOYSA-N
XLogP2.83
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-acetamido-2-[2-(3-acetamido-2-bromo-4-chloro-6-methoxycarbonylphenoxy)ethoxy]-3-bromo-5-chlorobenzoate
CID 76847760
methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 10756459
methyl 4-acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate
CID 76847714
methyl 4-acetamido-5-chloro-2-hydroxy-3-(2-trimethylsilylethynyl)benzoate
CID 19379151
methyl 4-acetamido-5-chloro-2-hydroxy-3-nitrobenzoate
CID 15125648
methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate
CID 166067686
methyl 6-acetamido-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate
CID 19853900
methyl 7-nitroso-1-benzofuran-4-carboxylate
CID 142822071
methyl 6-phosphanyloxy-1-benzofuran-4-carboxylate
CID 59560185
methyl 1-acetamido-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate
CID 15136047
methyl 2-acetamido-4-chloro-3-phenylbenzoate
CID 140992761
methyl 2-acetamido-4-chlorobenzoate
CID 2800203

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate (CID 11108337) is methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate is COC(=O)c1cc(Cl)c(NC(C)=O)c2ccoc12.
What is the InChIKey of methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate?
The InChIKey is FSBBKKVSKGIHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-6(15)14-10-7-3-4-18-11(7)8(5-9(10)13)12(16)17-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate?
methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate is sourced from PubChem (CID 11108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).