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

C12H13Cl2NO3 — CID 82884665

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCO1
InChIInChI=1S/C12H13Cl2NO3/c1-12(3-2-4-18-12)11(17)15-7-5-8(13)10(16)9(14)6-7/h5-6,16H,2-4H2,1H3,(H,15,17)
InChIKeyLQURJAWVPKGDIG-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.21
Rot. Bonds2

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

N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide (PubChem CID 82884665) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide
PubChem CID82884665
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCO1
InChIInChI=1S/C12H13Cl2NO3/c1-12(3-2-4-18-12)11(17)15-7-5-8(13)10(16)9(14)6-7/h5-6,16H,2-4H2,1H3,(H,15,17)
InChIKeyLQURJAWVPKGDIG-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.21
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-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide
CID 103747057
(2S)-N-(4-hydroxy-3-nitrophenyl)-2-methyloxolane-2-carboxamide
CID 99718443
N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
CID 81003405
2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458391
2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 43818795
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
(2R)-2-[[4-[[(2S)-2-methyloxolane-2-carbonyl]amino]benzoyl]amino]propanoic acid
CID 125120217
N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide
CID 102820636
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide
CID 104780599
(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
CID 51498983
N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide
CID 81037060
2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
CID 119235436

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide (CID 82884665) is N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide is CC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCO1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide?
The InChIKey is LQURJAWVPKGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-12(3-2-4-18-12)11(17)15-7-5-8(13)10(16)9(14)6-7/h5-6,16H,2-4H2,1H3,(H,15,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide has a molecular weight of 290.15 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 82884665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).