N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide

C17H16ClFN2O3 — CID 44998421

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-4-2-3-11(9-13)7-8-20-16(22)17(23)21-12-5-6-15(19)14(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyOUKQCYRJCZWONB-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.79
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide (PubChem CID 44998421) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
PubChem CID44998421
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-4-2-3-11(9-13)7-8-20-16(22)17(23)21-12-5-6-15(19)14(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyOUKQCYRJCZWONB-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623593
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide (CID 44998421) is N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide is COc1cccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The InChIKey is OUKQCYRJCZWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-24-13-4-2-3-11(9-13)7-8-20-16(22)17(23)21-12-5-6-15(19)14(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide has a molecular weight of 350.78 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 44998421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).