N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C11H11ClF2N2O3 — CID 111629756

IUPACN-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H11ClF2N2O3/c1-5(4-17)15-10(18)11(19)16-9-3-8(14)7(13)2-6(9)12/h2-3,5,17H,4H2,1H3,(H,15,18)(H,16,19)
InChIKeyCTLYZYPJMXBMMW-UHFFFAOYSA-N
MW292.67 g/mol
LogP1.05
Rot. Bonds3

About N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 111629756) has the molecular formula C11H11ClF2N2O3 and a molecular weight of 292.67 g/mol. Its IUPAC name is N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID111629756
Molecular FormulaC11H11ClF2N2O3
Molecular Weight292.67 g/mol
Exact Mass292.04
IUPAC NameN-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H11ClF2N2O3/c1-5(4-17)15-10(18)11(19)16-9-3-8(14)7(13)2-6(9)12/h2-3,5,17H,4H2,1H3,(H,15,18)(H,16,19)
InChIKeyCTLYZYPJMXBMMW-UHFFFAOYSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 51.05
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-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111521413
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111629766
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 111629756) is N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is CC(CO)NC(=O)C(=O)Nc1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is CTLYZYPJMXBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3/c1-5(4-17)15-10(18)11(19)16-9-3-8(14)7(13)2-6(9)12/h2-3,5,17H,4H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 292.67 g/mol, XLogP of 1.05, 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'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 111629756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).