(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide

C11H11Br2NO3 — CID 9319932

IUPAC(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)[C@@H]1CCCO1
InChIInChI=1S/C11H11Br2NO3/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-/m0/s1
InChIKeyVYPGCBYBVYFFFV-VIFPVBQESA-N
MW365.02 g/mol
LogP3.03
Rot. Bonds2

About (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide

(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide (PubChem CID 9319932) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
PubChem CID9319932
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Name(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)[C@@H]1CCCO1
InChIInChI=1S/C11H11Br2NO3/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-/m0/s1
InChIKeyVYPGCBYBVYFFFV-VIFPVBQESA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 53.03
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

(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-phenyloxolane-2-carboxamide
CID 3453643
5-(oxane-2-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62214026
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide (CID 9319932) is (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide is O=C(Nc1cc(Br)c(O)c(Br)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide?
The InChIKey is VYPGCBYBVYFFFV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11Br2NO3/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-/m0/s1.
What are the key properties of (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide?
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide has a molecular weight of 365.02 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 9319932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).