N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide

C13H17ClN2O3 — CID 45000896

IUPACN-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN2O3/c1-3-10(7-17)15-12(18)13(19)16-11-6-9(14)5-4-8(11)2/h4-6,10,17H,3,7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKISHVWYBZQUZGM-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.47
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide

N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide (PubChem CID 45000896) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
PubChem CID45000896
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN2O3/c1-3-10(7-17)15-12(18)13(19)16-11-6-9(14)5-4-8(11)2/h4-6,10,17H,3,7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKISHVWYBZQUZGM-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-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N'-(1-hydroxybutan-2-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566618
N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799040
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
N-(5-chloro-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510908
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-[2-fluoro-5-(trifluoromethyl)phenyl]-N'-(1-hydroxybutan-2-yl)oxamide
CID 110930863
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide (CID 45000896) is N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide is CCC(CO)NC(=O)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is KISHVWYBZQUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-10(7-17)15-12(18)13(19)16-11-6-9(14)5-4-8(11)2/h4-6,10,17H,3,7H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)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'-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 45000896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).