4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide

C12H15IN2O2 — CID 66239031

IUPAC4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCC2N)cc1I
InChIInChI=1S/C12H15IN2O2/c1-7-2-3-8(4-10(7)13)15-12(16)9-5-17-6-11(9)14/h2-4,9,11H,5-6,14H2,1H3,(H,15,16)
InChIKeyPYWMTTGUOKHCQJ-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.51
Rot. Bonds2

About 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide

4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide (PubChem CID 66239031) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
PubChem CID66239031
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC Name4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCC2N)cc1I
InChIInChI=1S/C12H15IN2O2/c1-7-2-3-8(4-10(7)13)15-12(16)9-5-17-6-11(9)14/h2-4,9,11H,5-6,14H2,1H3,(H,15,16)
InChIKeyPYWMTTGUOKHCQJ-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide (CID 66239031) is 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide is Cc1ccc(NC(=O)C2COCC2N)cc1I.
What is the InChIKey of 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide?
The InChIKey is PYWMTTGUOKHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-7-2-3-8(4-10(7)13)15-12(16)9-5-17-6-11(9)14/h2-4,9,11H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide?
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide has a molecular weight of 346.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66239031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).