4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one

C15H21FN2O — CID 26334076

IUPAC4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)N1CCC(=O)N(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-12(2)17-8-7-15(19)18(10-9-17)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyQDTWNIGSJDGIES-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.27
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one

4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one (PubChem CID 26334076) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
PubChem CID26334076
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)N1CCC(=O)N(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-12(2)17-8-7-15(19)18(10-9-17)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyQDTWNIGSJDGIES-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 144662384
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(3,5-difluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733239
1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883955
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one
CID 67685787
[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491563
1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883719
1-[2-(dimethylamino)benzoyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 42484729

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one (CID 26334076) is 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one is CC(C)N1CCC(=O)N(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is QDTWNIGSJDGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12(2)17-8-7-15(19)18(10-9-17)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one?
4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 264.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 26334076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).