N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide

C16H14ClFN2O2 — CID 44999528

IUPACN'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H14ClFN2O2/c17-12-6-7-14(13(18)10-12)20-16(22)15(21)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyBGZLRVGXJNMJCW-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.78
Rot. Bonds4

About N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide

N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide (PubChem CID 44999528) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
PubChem CID44999528
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H14ClFN2O2/c17-12-6-7-14(13(18)10-12)20-16(22)15(21)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyBGZLRVGXJNMJCW-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'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(4-chloro-2-fluorophenyl)oxamide
CID 86996452
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide (CID 44999528) is N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide?
The InChIKey is BGZLRVGXJNMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-12-6-7-14(13(18)10-12)20-16(22)15(21)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide?
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)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'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 44999528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).