methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate

C14H16ClNO4 — CID 10756459

IUPACmethyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)c(NC(C)=O)c2c1OC(C)C2C
InChIInChI=1S/C14H16ClNO4/c1-6-7(2)20-13-9(14(18)19-4)5-10(15)12(11(6)13)16-8(3)17/h5-7H,1-4H3,(H,16,17)
InChIKeyRNEDTOKKCIDDOT-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.97
Rot. Bonds2

About methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate

methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate (PubChem CID 10756459) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
PubChem CID10756459
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Namemethyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)c(NC(C)=O)c2c1OC(C)C2C
InChIInChI=1S/C14H16ClNO4/c1-6-7(2)20-13-9(14(18)19-4)5-10(15)12(11(6)13)16-8(3)17/h5-7H,1-4H3,(H,16,17)
InChIKeyRNEDTOKKCIDDOT-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate 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

methyl 1-acetamido-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate
CID 15136047
methyl 6-acetamido-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate
CID 19853900
methyl 4-acetamido-5-chloro-1-benzofuran-7-carboxylate
CID 11108337
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-acetamido-2-[2-(3-acetamido-2-bromo-4-chloro-6-methoxycarbonylphenoxy)ethoxy]-3-bromo-5-chlorobenzoate
CID 76847760
methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905953
methyl 4-acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate
CID 76847714
methyl 2-acetamido-4-chloro-3-phenylbenzoate
CID 140992761
methyl 2-acetamido-5-chlorothiophene-3-carboxylate
CID 818981
methyl 6-chloro-5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate
CID 10936218
4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate (CID 10756459) is methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate is COC(=O)c1cc(Cl)c(NC(C)=O)c2c1OC(C)C2C.
What is the InChIKey of methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
The InChIKey is RNEDTOKKCIDDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-6-7(2)20-13-9(14(18)19-4)5-10(15)12(11(6)13)16-8(3)17/h5-7H,1-4H3,(H,16,17).
What are the key properties of methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
methyl 4-acetamido-5-chloro-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 2.97, 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-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate is sourced from PubChem (CID 10756459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).