N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide

C11H12ClFN2O2 — CID 108513981

IUPACN-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCCCl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H12ClFN2O2/c12-5-6-14-10(16)11(17)15-7-8-1-3-9(13)4-2-8/h1-4H,5-7H2,(H,14,16)(H,15,17)
InChIKeyDLVIGBQYFRNSKV-UHFFFAOYSA-N
MW258.68 g/mol
LogP0.80
Rot. Bonds4

About N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide

N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide (PubChem CID 108513981) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
PubChem CID108513981
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC NameN-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCCCl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H12ClFN2O2/c12-5-6-14-10(16)11(17)15-7-8-1-3-9(13)4-2-8/h1-4H,5-7H2,(H,14,16)(H,15,17)
InChIKeyDLVIGBQYFRNSKV-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
(Z)-N-(2-chloroethyl)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]prop-2-enamide
CID 108854631
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide (CID 108513981) is N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide is O=C(NCCCl)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is DLVIGBQYFRNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c12-5-6-14-10(16)11(17)15-7-8-1-3-9(13)4-2-8/h1-4H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 258.68 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108513981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).