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

C16H23ClN2O3 — CID 111521505

IUPACN'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
SMILESCC(C)CC(CCO)CNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-11(2)9-12(7-8-20)10-18-15(21)16(22)19-14-5-3-13(17)4-6-14/h3-6,11-12,20H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZAKFJYCWFFJUAV-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.44
Rot. Bonds7

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

N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide (PubChem CID 111521505) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
PubChem CID111521505
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
SMILESCC(C)CC(CCO)CNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-11(2)9-12(7-8-20)10-18-15(21)16(22)19-14-5-3-13(17)4-6-14/h3-6,11-12,20H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZAKFJYCWFFJUAV-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.44
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-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521482
N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521496
N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide
CID 111521522
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111521056
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
CID 158191515
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide
CID 111491009
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide (CID 111521505) is N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide is CC(C)CC(CCO)CNC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
The InChIKey is ZAKFJYCWFFJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(2)9-12(7-8-20)10-18-15(21)16(22)19-14-5-3-13(17)4-6-14/h3-6,11-12,20H,7-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide?
N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide has a molecular weight of 326.82 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide is sourced from PubChem (CID 111521505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).