2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide

C18H16Cl2FNO3 — CID 24529754

IUPAC2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide
SMILESCCOc1cc2c(cc1NC(=O)c1cc(F)c(Cl)cc1Cl)OC(C)C2
InChIInChI=1S/C18H16Cl2FNO3/c1-3-24-17-5-10-4-9(2)25-16(10)8-15(17)22-18(23)11-6-14(21)13(20)7-12(11)19/h5-9H,3-4H2,1-2H3,(H,22,23)
InChIKeyUUXZZJUGOMHQRM-UHFFFAOYSA-N
MW384.23 g/mol
LogP5.11
Rot. Bonds4

About 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide

2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide (PubChem CID 24529754) has the molecular formula C18H16Cl2FNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide
PubChem CID24529754
Molecular FormulaC18H16Cl2FNO3
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC Name2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide
SMILESCCOc1cc2c(cc1NC(=O)c1cc(F)c(Cl)cc1Cl)OC(C)C2
InChIInChI=1S/C18H16Cl2FNO3/c1-3-24-17-5-10-4-9(2)25-16(10)8-15(17)22-18(23)11-6-14(21)13(20)7-12(11)19/h5-9H,3-4H2,1-2H3,(H,22,23)
InChIKeyUUXZZJUGOMHQRM-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697401
5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
CID 43034709
4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide
CID 167829951
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
5-cyclopropyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazole-3-carboxamide
CID 24668257
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18126896
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide
CID 24590384

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide (CID 24529754) is 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide is CCOc1cc2c(cc1NC(=O)c1cc(F)c(Cl)cc1Cl)OC(C)C2.
What is the InChIKey of 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide?
The InChIKey is UUXZZJUGOMHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO3/c1-3-24-17-5-10-4-9(2)25-16(10)8-15(17)22-18(23)11-6-14(21)13(20)7-12(11)19/h5-9H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide?
2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide has a molecular weight of 384.23 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide is sourced from PubChem (CID 24529754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).