N-(3-iodophenyl)oxolane-2-carboxamide

C11H12INO2 — CID 42904469

IUPACN-(3-iodophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)C1CCCO1
InChIInChI=1S/C11H12INO2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1,3-4,7,10H,2,5-6H2,(H,13,14)
InChIKeyGLOVCNFMIXBEOG-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.41
Rot. Bonds2

About N-(3-iodophenyl)oxolane-2-carboxamide

N-(3-iodophenyl)oxolane-2-carboxamide (PubChem CID 42904469) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is N-(3-iodophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)oxolane-2-carboxamide
PubChem CID42904469
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC NameN-(3-iodophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)C1CCCO1
InChIInChI=1S/C11H12INO2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1,3-4,7,10H,2,5-6H2,(H,13,14)
InChIKeyGLOVCNFMIXBEOG-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
N-[3-[(2,3-dichlorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049586
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)oxolane-2-carboxamide (CID 42904469) is N-(3-iodophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)oxolane-2-carboxamide is O=C(Nc1cccc(I)c1)C1CCCO1.
What is the InChIKey of N-(3-iodophenyl)oxolane-2-carboxamide?
The InChIKey is GLOVCNFMIXBEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1,3-4,7,10H,2,5-6H2,(H,13,14).
What are the key properties of N-(3-iodophenyl)oxolane-2-carboxamide?
N-(3-iodophenyl)oxolane-2-carboxamide has a molecular weight of 317.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 42904469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).