N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide

C12H14Cl2N2O3 — CID 108502845

IUPACN-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-2-8(6-17)15-11(18)12(19)16-10-4-3-7(13)5-9(10)14/h3-5,8,17H,2,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyZAWNOJNYZVUGKG-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.82
Rot. Bonds4

About N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide

N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide (PubChem CID 108502845) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
PubChem CID108502845
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC NameN-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-2-8(6-17)15-11(18)12(19)16-10-4-3-7(13)5-9(10)14/h3-5,8,17H,2,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyZAWNOJNYZVUGKG-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.82
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-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799040
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-[2-fluoro-5-(trifluoromethyl)phenyl]-N'-(1-hydroxybutan-2-yl)oxamide
CID 110930863
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393
N'-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)oxamide
CID 78843041

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide (CID 108502845) is N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide is CCC(CO)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is ZAWNOJNYZVUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-2-8(6-17)15-11(18)12(19)16-10-4-3-7(13)5-9(10)14/h3-5,8,17H,2,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide has a molecular weight of 305.16 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 108502845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).