N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C12H14ClFN2O3 — CID 47669560

IUPACN'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CNC(=O)C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O3/c1-7(6-17)5-15-11(18)12(19)16-9-4-2-3-8(13)10(9)14/h2-4,7,17H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyYYYBFDLLKRLYBS-UHFFFAOYSA-N
MW288.71 g/mol
LogP1.16
Rot. Bonds4

About N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 47669560) has the molecular formula C12H14ClFN2O3 and a molecular weight of 288.71 g/mol. Its IUPAC name is N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID47669560
Molecular FormulaC12H14ClFN2O3
Molecular Weight288.71 g/mol
Exact Mass288.07
IUPAC NameN'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CNC(=O)C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O3/c1-7(6-17)5-15-11(18)12(19)16-9-4-2-3-8(13)10(9)14/h2-4,7,17H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyYYYBFDLLKRLYBS-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 51.16
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

1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473329
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 110924001
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61354888
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669822
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
N'-(4-chloro-2-pyrrol-1-ylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 111797083
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 115695888
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
(3-chloro-2-fluorophenyl)urea
CID 28969166
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 47669560) is N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is CC(CO)CNC(=O)C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is YYYBFDLLKRLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3/c1-7(6-17)5-15-11(18)12(19)16-9-4-2-3-8(13)10(9)14/h2-4,7,17H,5-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 288.71 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 47669560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).