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

C17H16ClFN2O3 — CID 7585054

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-5-2-11(3-6-13)8-9-20-16(22)17(23)21-12-4-7-15(19)14(18)10-12/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyODNXOPUYTZFWPF-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.79
Rot. Bonds5

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

N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 7585054) 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-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID7585054
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-5-2-11(3-6-13)8-9-20-16(22)17(23)21-12-4-7-15(19)14(18)10-12/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyODNXOPUYTZFWPF-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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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 7585054) is N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is ODNXOPUYTZFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-24-13-5-2-11(3-6-13)8-9-20-16(22)17(23)21-12-4-7-15(19)14(18)10-12/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-(4-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-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 7585054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).