N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide

C14H19ClN2O4 — CID 108526393

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-4-9(7-18)16-13(19)14(20)17-11-5-8(2)10(15)6-12(11)21-3/h5-6,9,18H,4,7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyXZEFYKJGUKLDIC-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.48
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide (PubChem CID 108526393) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
PubChem CID108526393
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-4-9(7-18)16-13(19)14(20)17-11-5-8(2)10(15)6-12(11)21-3/h5-6,9,18H,4,7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyXZEFYKJGUKLDIC-UHFFFAOYSA-N
XLogP1.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524368
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide (CID 108526393) is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide is CCC(CO)NC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is XZEFYKJGUKLDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-9(7-18)16-13(19)14(20)17-11-5-8(2)10(15)6-12(11)21-3/h5-6,9,18H,4,7H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide has a molecular weight of 314.77 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 108526393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).