4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

C28H25FN2O5 — CID 20943903

IUPAC4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C)COc2c(oc3ccccc23)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C28H25FN2O5/c1-28(27(33)30-15-18-9-4-7-13-22(18)34-2)17-35-24-20-11-5-8-14-23(20)36-25(24)26(32)31(28)16-19-10-3-6-12-21(19)29/h3-14H,15-17H2,1-2H3,(H,30,33)
InChIKeySSTREXJGVZGBQW-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.69
Rot. Bonds6

About 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 20943903) has the molecular formula C28H25FN2O5 and a molecular weight of 488.52 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
PubChem CID20943903
Molecular FormulaC28H25FN2O5
Molecular Weight488.52 g/mol
Exact Mass488.17
IUPAC Name4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C)COc2c(oc3ccccc23)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C28H25FN2O5/c1-28(27(33)30-15-18-9-4-7-13-22(18)34-2)17-35-24-20-11-5-8-14-23(20)36-25(24)26(32)31(28)16-19-10-3-6-12-21(19)29/h3-14H,15-17H2,1-2H3,(H,30,33)
InChIKeySSTREXJGVZGBQW-UHFFFAOYSA-N
XLogP4.69
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 20943903) is 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is COc1ccccc1CNC(=O)C1(C)COc2c(oc3ccccc23)C(=O)N1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The InChIKey is SSTREXJGVZGBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O5/c1-28(27(33)30-15-18-9-4-7-13-22(18)34-2)17-35-24-20-11-5-8-14-23(20)36-25(24)26(32)31(28)16-19-10-3-6-12-21(19)29/h3-14H,15-17H2,1-2H3,(H,30,33).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 488.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 20943903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).