N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide

C13H17ClN2O3 — CID 111337573

IUPACN'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCC(C)O
InChIInChI=1S/C13H17ClN2O3/c1-8-3-4-10(14)7-11(8)16-13(19)12(18)15-6-5-9(2)17/h3-4,7,9,17H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZSILHTRQENQJMH-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.47
Rot. Bonds4

About N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide (PubChem CID 111337573) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
PubChem CID111337573
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCC(C)O
InChIInChI=1S/C13H17ClN2O3/c1-8-3-4-10(14)7-11(8)16-13(19)12(18)15-6-5-9(2)17/h3-4,7,9,17H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZSILHTRQENQJMH-UHFFFAOYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.47
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'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133274
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide (CID 111337573) is N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC(C)O.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide?
The InChIKey is ZSILHTRQENQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8-3-4-10(14)7-11(8)16-13(19)12(18)15-6-5-9(2)17/h3-4,7,9,17H,5-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide has a molecular weight of 284.74 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide is sourced from PubChem (CID 111337573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).