methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate

C17H15NO4 — CID 110693467

IUPACmethyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H15NO4/c1-21-17(20)13-3-2-4-14(10-13)18-16(19)12-5-6-15-11(9-12)7-8-22-15/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyOPSPXDKLFVDFBN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.66
Rot. Bonds3

About methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate

methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate (PubChem CID 110693467) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
PubChem CID110693467
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H15NO4/c1-21-17(20)13-3-2-4-14(10-13)18-16(19)12-5-6-15-11(9-12)7-8-22-15/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyOPSPXDKLFVDFBN-UHFFFAOYSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
CID 113199710
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 38612951
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate?
The IUPAC name of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate (CID 110693467) is methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate is COC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate?
The InChIKey is OPSPXDKLFVDFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-17(20)13-3-2-4-14(10-13)18-16(19)12-5-6-15-11(9-12)7-8-22-15/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate?
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate is sourced from PubChem (CID 110693467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).