4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide

C24H23FN2O2 — CID 50843841

IUPAC4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2c(c1)CN(Cc1ccccc1)CCO2
InChIInChI=1S/C24H23FN2O2/c25-22-9-6-18(7-10-22)15-26-24(28)20-8-11-23-21(14-20)17-27(12-13-29-23)16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,26,28)
InChIKeyWQGXWRQCZQRIDE-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.15
Rot. Bonds5

About 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide

4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide (PubChem CID 50843841) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
PubChem CID50843841
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2c(c1)CN(Cc1ccccc1)CCO2
InChIInChI=1S/C24H23FN2O2/c25-22-9-6-18(7-10-22)15-26-24(28)20-8-11-23-21(14-20)17-27(12-13-29-23)16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,26,28)
InChIKeyWQGXWRQCZQRIDE-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 91913445
4-(benzenesulfonyl)-N-benzyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 50843297
N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 91913436
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-benzyl-4-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 50843380
1-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propan-1-one;dihydrochloride
CID 139815086
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577
N-benzyl-4-(2,4,6-trimethylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 46397086
4-(3-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 50843221
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide (CID 50843841) is 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CN(Cc1ccccc1)CCO2.
What is the InChIKey of 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The InChIKey is WQGXWRQCZQRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-22-9-6-18(7-10-22)15-26-24(28)20-8-11-23-21(14-20)17-27(12-13-29-23)16-19-4-2-1-3-5-19/h1-11,14H,12-13,15-17H2,(H,26,28).
What are the key properties of 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide is sourced from PubChem (CID 50843841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).