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

C16H14ClFN2O2 — CID 5046891

IUPACN-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide
SMILESO=C(NCCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c17-14-4-2-1-3-11(14)9-10-19-15(21)16(22)20-13-7-5-12(18)6-8-13/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyYJRDJFJFNMSYRG-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.78
Rot. Bonds4

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

N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide (PubChem CID 5046891) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide
PubChem CID5046891
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide
SMILESO=C(NCCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c17-14-4-2-1-3-11(14)9-10-19-15(21)16(22)20-13-7-5-12(18)6-8-13/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyYJRDJFJFNMSYRG-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.78
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-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
1-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)thiourea
CID 175346645
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
N'-[4-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide (CID 5046891) is N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide is O=C(NCCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
The InChIKey is YJRDJFJFNMSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-14-4-2-1-3-11(14)9-10-19-15(21)16(22)20-13-7-5-12(18)6-8-13/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide has a molecular weight of 320.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide is sourced from PubChem (CID 5046891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).