methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

C18H18ClNO5 — CID 55461550

IUPACmethyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)C2Cc3cc(Cl)ccc3O2)oc1C
InChIInChI=1S/C18H18ClNO5/c1-10-14(18(22)23-3)8-13(24-10)9-20(2)17(21)16-7-11-6-12(19)4-5-15(11)25-16/h4-6,8,16H,7,9H2,1-3H3
InChIKeySOCUEKGQBJLBGD-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.99
Rot. Bonds4

About methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 55461550) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID55461550
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Namemethyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)C2Cc3cc(Cl)ccc3O2)oc1C
InChIInChI=1S/C18H18ClNO5/c1-10-14(18(22)23-3)8-13(24-10)9-20(2)17(21)16-7-11-6-12(19)4-5-15(11)25-16/h4-6,8,16H,7,9H2,1-3H3
InChIKeySOCUEKGQBJLBGD-UHFFFAOYSA-N
XLogP2.99
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 55461550) is methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)C2Cc3cc(Cl)ccc3O2)oc1C.
What is the InChIKey of methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is SOCUEKGQBJLBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-10-14(18(22)23-3)8-13(24-10)9-20(2)17(21)16-7-11-6-12(19)4-5-15(11)25-16/h4-6,8,16H,7,9H2,1-3H3.
What are the key properties of methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 363.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 55461550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).