N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide

C16H15IN2O2 — CID 108507943

IUPACN-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H15IN2O2/c1-11(12-5-3-2-4-6-12)18-15(20)16(21)19-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyVMNRUXIUBBYRKH-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.11
Rot. Bonds3

About N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide

N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide (PubChem CID 108507943) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
PubChem CID108507943
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC NameN-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H15IN2O2/c1-11(12-5-3-2-4-6-12)18-15(20)16(21)19-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyVMNRUXIUBBYRKH-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.11
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-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40977489
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
CID 49295659
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
CID 40592995
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide (CID 108507943) is N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)Nc1ccc(I)cc1)c1ccccc1.
What is the InChIKey of N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is VMNRUXIUBBYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-11(12-5-3-2-4-6-12)18-15(20)16(21)19-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide?
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 394.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 108507943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).