N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide

C16H13ClF2N2O2 — CID 7541504

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2N2O2/c17-11-3-1-10(2-4-11)7-8-20-15(22)16(23)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyVAQULEZVVCGBGE-UHFFFAOYSA-N
MW338.74 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide (PubChem CID 7541504) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
PubChem CID7541504
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2N2O2/c17-11-3-1-10(2-4-11)7-8-20-15(22)16(23)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyVAQULEZVVCGBGE-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
5-[2-(4-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109193713
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(4-chloro-2-fluorophenyl)oxamide
CID 86996452
N'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide (CID 7541504) is N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide is O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide?
The InChIKey is VAQULEZVVCGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c17-11-3-1-10(2-4-11)7-8-20-15(22)16(23)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide has a molecular weight of 338.74 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide is sourced from PubChem (CID 7541504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).