N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide

C16H22ClFN2O3 — CID 111521496

IUPACN'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
SMILESCC(C)CC(CCO)CNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H22ClFN2O3/c1-10(2)7-11(5-6-21)9-19-15(22)16(23)20-14-4-3-12(17)8-13(14)18/h3-4,8,10-11,21H,5-7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPPZXWZAHCGQHLJ-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.58
Rot. Bonds7

About N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide

N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide (PubChem CID 111521496) has the molecular formula C16H22ClFN2O3 and a molecular weight of 344.81 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
PubChem CID111521496
Molecular FormulaC16H22ClFN2O3
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
SMILESCC(C)CC(CCO)CNC(=O)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H22ClFN2O3/c1-10(2)7-11(5-6-21)9-19-15(22)16(23)20-14-4-3-12(17)8-13(14)18/h3-4,8,10-11,21H,5-7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPPZXWZAHCGQHLJ-UHFFFAOYSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.58
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'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521505
1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111521056
N'-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521482
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide
CID 111521522
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide (CID 111521496) is N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide is CC(C)CC(CCO)CNC(=O)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
The InChIKey is PPZXWZAHCGQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3/c1-10(2)7-11(5-6-21)9-19-15(22)16(23)20-14-4-3-12(17)8-13(14)18/h3-4,8,10-11,21H,5-7,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide has a molecular weight of 344.81 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide is sourced from PubChem (CID 111521496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).