N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide

C14H9F2IN2O2 — CID 108532053

IUPACN'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide
SMILESO=C(Nc1ccc(I)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H9F2IN2O2/c15-8-1-6-11(16)12(7-8)19-14(21)13(20)18-10-4-2-9(17)3-5-10/h1-7H,(H,18,20)(H,19,21)
InChIKeyJNWMDBJXPPYSEC-UHFFFAOYSA-N
MW402.14 g/mol
LogP3.15
Rot. Bonds2

About N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide

N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide (PubChem CID 108532053) has the molecular formula C14H9F2IN2O2 and a molecular weight of 402.14 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide
PubChem CID108532053
Molecular FormulaC14H9F2IN2O2
Molecular Weight402.14 g/mol
Exact Mass401.97
IUPAC NameN'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide
SMILESO=C(Nc1ccc(I)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H9F2IN2O2/c15-8-1-6-11(16)12(7-8)19-14(21)13(20)18-10-4-2-9(17)3-5-10/h1-7H,(H,18,20)(H,19,21)
InChIKeyJNWMDBJXPPYSEC-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.14
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
N-(2-carbamoylphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108529490
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide (CID 108532053) is N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide is O=C(Nc1ccc(I)cc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide?
The InChIKey is JNWMDBJXPPYSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IN2O2/c15-8-1-6-11(16)12(7-8)19-14(21)13(20)18-10-4-2-9(17)3-5-10/h1-7H,(H,18,20)(H,19,21).
What are the key properties of N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide?
N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide has a molecular weight of 402.14 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide is sourced from PubChem (CID 108532053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).