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

C13H14ClFN2O3 — CID 111435584

IUPACN'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
SMILESO=C(NCC1(O)CCC1)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFN2O3/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)
InChIKeyJLODXZHPHQMLMK-UHFFFAOYSA-N
MW300.72 g/mol
LogP1.45
Rot. Bonds3

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

N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide (PubChem CID 111435584) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
PubChem CID111435584
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC NameN'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
SMILESO=C(NCC1(O)CCC1)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFN2O3/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)
InChIKeyJLODXZHPHQMLMK-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.45
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-hydroxycyclopentyl)methyl]oxamide
CID 111435524
N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435537
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
N'-(3-chloro-4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]oxamide
CID 90534235
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
N'-(5-chloro-2-cyanophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581320
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
N-[(1-hydroxycyclobutyl)methyl]-N'-(2-phenylphenyl)oxamide
CID 111435548
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
The IUPAC name of N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide (CID 111435584) is N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide is O=C(NCC1(O)CCC1)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
The InChIKey is JLODXZHPHQMLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/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-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide?
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide has a molecular weight of 300.72 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide is sourced from PubChem (CID 111435584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).