(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide

C18H17IN2O3 — CID 37396701

IUPAC(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1I
InChIInChI=1S/C18H17IN2O3/c19-15-5-2-1-4-14(15)17(22)20-12-7-9-13(10-8-12)21-18(23)16-6-3-11-24-16/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyCAWDLPQCMAWCJW-INIZCTEOSA-N
MW436.25 g/mol
LogP3.66
Rot. Bonds4

About (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide

(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 37396701) has the molecular formula C18H17IN2O3 and a molecular weight of 436.25 g/mol. Its IUPAC name is (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID37396701
Molecular FormulaC18H17IN2O3
Molecular Weight436.25 g/mol
Exact Mass436.03
IUPAC Name(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1I
InChIInChI=1S/C18H17IN2O3/c19-15-5-2-1-4-14(15)17(22)20-12-7-9-13(10-8-12)21-18(23)16-6-3-11-24-16/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyCAWDLPQCMAWCJW-INIZCTEOSA-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-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37395388
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-phenyloxolane-2-carboxamide
CID 3453643
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 6460297
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide (CID 37396701) is (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1I.
What is the InChIKey of (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is CAWDLPQCMAWCJW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17IN2O3/c19-15-5-2-1-4-14(15)17(22)20-12-7-9-13(10-8-12)21-18(23)16-6-3-11-24-16/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-[(2-iodobenzoyl)amino]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 (2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 37396701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).