N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide

C13H16ClFN2O3 — CID 111798976

IUPACN-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
SMILESCC(CO)C(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O3/c1-7(6-18)8(2)16-12(19)13(20)17-9-3-4-10(14)11(15)5-9/h3-5,7-8,18H,6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCVPSYAFUBRFUJU-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.55
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide

N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide (PubChem CID 111798976) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
PubChem CID111798976
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC NameN-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
SMILESCC(CO)C(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O3/c1-7(6-18)8(2)16-12(19)13(20)17-9-3-4-10(14)11(15)5-9/h3-5,7-8,18H,6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCVPSYAFUBRFUJU-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.55
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-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798924
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121499
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
5-(4-chloro-3-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62965409
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453091
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide (CID 111798976) is N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide is CC(CO)C(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The InChIKey is CVPSYAFUBRFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c1-7(6-18)8(2)16-12(19)13(20)17-9-3-4-10(14)11(15)5-9/h3-5,7-8,18H,6H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide has a molecular weight of 302.73 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide is sourced from PubChem (CID 111798976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).