(2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide

C11H11Cl2NO3 — CID 2193424

IUPAC(2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCO1
InChIInChI=1S/C11H11Cl2NO3/c12-7-4-6(5-8(13)10(7)15)14-11(16)9-2-1-3-17-9/h4-5,9,15H,1-3H2,(H,14,16)/t9-/m1/s1
InChIKeyIQGOWYFXCFHXNR-SECBINFHSA-N
MW276.12 g/mol
LogP2.82
Rot. Bonds2

About (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide

(2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide (PubChem CID 2193424) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide
PubChem CID2193424
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCO1
InChIInChI=1S/C11H11Cl2NO3/c12-7-4-6(5-8(13)10(7)15)14-11(16)9-2-1-3-17-9/h4-5,9,15H,1-3H2,(H,14,16)/t9-/m1/s1
InChIKeyIQGOWYFXCFHXNR-SECBINFHSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 2971218
N-(5-chloro-2-hydroxyphenyl)tetrahydrofuran-2-carboxamide
CID 2977899
N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide
CID 2942176
N-(4-hydroxyphenyl)tetrahydro-2-furancarboxamide
CID 2977397
3',5'-Dichloro-4'-hydroxyacetanilide
CID 10082180
N-(3,5-dichloro-4-hydroxyphenyl)-2-phenoxyacetamide
CID 977944
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide
CID 8696477
(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide
CID 8696482
N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide
CID 42905586
N-(3,5-dichloro-4-hydroxyphenyl)-4,4,4-trifluorobutanamide
CID 82885463
N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208648
N-(3-chloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103829181

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide (CID 2193424) is (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide?
The InChIKey is IQGOWYFXCFHXNR-SECBINFHSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-7-4-6(5-8(13)10(7)15)14-11(16)9-2-1-3-17-9/h4-5,9,15H,1-3H2,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide?
(2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide has a molecular weight of 276.12 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dichloro-4-hydroxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2193424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).