N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C18H17IN2O3 — CID 42943923

IUPACN-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H17IN2O3/c19-13-5-2-7-15(11-13)20-17(22)12-4-1-6-14(10-12)21-18(23)16-8-3-9-24-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,20,22)(H,21,23)
InChIKeyVCIMOVYXJAJAFS-UHFFFAOYSA-N
MW436.25 g/mol
LogP3.66
Rot. Bonds4

About N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42943923) has the molecular formula C18H17IN2O3 and a molecular weight of 436.25 g/mol. Its IUPAC name is N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42943923
Molecular FormulaC18H17IN2O3
Molecular Weight436.25 g/mol
Exact Mass436.03
IUPAC NameN-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H17IN2O3/c19-13-5-2-7-15(11-13)20-17(22)12-4-1-6-14(10-12)21-18(23)16-8-3-9-24-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,20,22)(H,21,23)
InChIKeyVCIMOVYXJAJAFS-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 53.66
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

N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
N-[3-[(2,3-dichlorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049586
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
N-[3-[(3-chloro-2-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049754
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 42943923) is N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(I)c1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is VCIMOVYXJAJAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O3/c19-13-5-2-7-15(11-13)20-17(22)12-4-1-6-14(10-12)21-18(23)16-8-3-9-24-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 436.25 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42943923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).