N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide

C14H17ClF2N2O3 — CID 111629766

IUPACN'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
SMILESCC(C)(C)C(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H17ClF2N2O3/c1-14(2,3)11(20)6-18-12(21)13(22)19-10-5-9(17)8(16)4-7(10)15/h4-5,11,20H,6H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQEDKWIGGRUEWGJ-UHFFFAOYSA-N
MW334.75 g/mol
LogP2.08
Rot. Bonds3

About N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide

N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide (PubChem CID 111629766) has the molecular formula C14H17ClF2N2O3 and a molecular weight of 334.75 g/mol. Its IUPAC name is N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
PubChem CID111629766
Molecular FormulaC14H17ClF2N2O3
Molecular Weight334.75 g/mol
Exact Mass334.09
IUPAC NameN'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
SMILESCC(C)(C)C(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H17ClF2N2O3/c1-14(2,3)11(20)6-18-12(21)13(22)19-10-5-9(17)8(16)4-7(10)15/h4-5,11,20H,6H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQEDKWIGGRUEWGJ-UHFFFAOYSA-N
XLogP2.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
CID 96530978
N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111629756
N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121541
N'-(3-chloro-4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523603
1-[(3-chloro-4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338386
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121499
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The IUPAC name of N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide (CID 111629766) is N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide.
What is the SMILES notation for N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The canonical SMILES for N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide is CC(C)(C)C(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl.
What is the InChIKey of N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The InChIKey is QEDKWIGGRUEWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O3/c1-14(2,3)11(20)6-18-12(21)13(22)19-10-5-9(17)8(16)4-7(10)15/h4-5,11,20H,6H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide has a molecular weight of 334.75 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide is sourced from PubChem (CID 111629766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).