N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide

C13H14BrFN2O3 — CID 111435537

IUPACN'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
SMILESO=C(NCC1(O)CCC1)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2O3/c14-8-2-3-9(15)10(6-8)17-12(19)11(18)16-7-13(20)4-1-5-13/h2-3,6,20H,1,4-5,7H2,(H,16,18)(H,17,19)
InChIKeyFMYPVZLWBAMBDZ-UHFFFAOYSA-N
MW345.17 g/mol
LogP1.56
Rot. Bonds3

About N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide

N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide (PubChem CID 111435537) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
PubChem CID111435537
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC NameN'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
SMILESO=C(NCC1(O)CCC1)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2O3/c14-8-2-3-9(15)10(6-8)17-12(19)11(18)16-7-13(20)4-1-5-13/h2-3,6,20H,1,4-5,7H2,(H,16,18)(H,17,19)
InChIKeyFMYPVZLWBAMBDZ-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435584
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide
CID 111435524
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
N'-(4-bromo-2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]oxamide
CID 111629813
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103612
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
N-[(1-hydroxycyclobutyl)methyl]-N'-(2-phenylphenyl)oxamide
CID 111435548
N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide
CID 99636400
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
The IUPAC name of N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide (CID 111435537) is N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide.
What is the SMILES notation for N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
The canonical SMILES for N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide is O=C(NCC1(O)CCC1)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
The InChIKey is FMYPVZLWBAMBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c14-8-2-3-9(15)10(6-8)17-12(19)11(18)16-7-13(20)4-1-5-13/h2-3,6,20H,1,4-5,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide has a molecular weight of 345.17 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide is sourced from PubChem (CID 111435537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).