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

C25H25FN2O4 — CID 50791554

IUPACN-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)COc2c(oc3ccccc23)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C25H25FN2O4/c1-25(24(30)27-18-9-2-3-10-18)15-31-21-19-11-4-5-12-20(19)32-22(21)23(29)28(25)14-16-7-6-8-17(26)13-16/h4-8,11-13,18H,2-3,9-10,14-15H2,1H3,(H,27,30)
InChIKeyFCFUZHFVKBJAMI-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.42
Rot. Bonds4

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

N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 50791554) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
PubChem CID50791554
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC NameN-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)COc2c(oc3ccccc23)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C25H25FN2O4/c1-25(24(30)27-18-9-2-3-10-18)15-31-21-19-11-4-5-12-20(19)32-22(21)23(29)28(25)14-16-7-6-8-17(26)13-16/h4-8,11-13,18H,2-3,9-10,14-15H2,1H3,(H,27,30)
InChIKeyFCFUZHFVKBJAMI-UHFFFAOYSA-N
XLogP4.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791582
N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-ylphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 101398328
N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791551
(3S)-N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 92749436
(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739495
(3S)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739615
N-cyclohexyl-2-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274238
N-cycloheptyl-5-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272587
(3S)-N-cyclooctyl-2-[(3-fluorophenyl)methyl]-7-methyl-1-oxo-3-phenyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98280395
(3S)-2-benzyl-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92701404
(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058815

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 50791554) is N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is CC1(C(=O)NC2CCCC2)COc2c(oc3ccccc23)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The InChIKey is FCFUZHFVKBJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-25(24(30)27-18-9-2-3-10-18)15-31-21-19-11-4-5-12-20(19)32-22(21)23(29)28(25)14-16-7-6-8-17(26)13-16/h4-8,11-13,18H,2-3,9-10,14-15H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 50791554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).