(4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide

C11H11FN2O4 — CID 139075664

IUPAC(4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide
SMILESNC(=O)[C@@H]1OC(c2ccccc2F)O[C@H]1C(N)=O
InChIInChI=1S/C11H11FN2O4/c12-6-4-2-1-3-5(6)11-17-7(9(13)15)8(18-11)10(14)16/h1-4,7-8,11H,(H2,13,15)(H2,14,16)/t7-,8-/m1/s1
InChIKeyCHCCYENZMOXXIP-HTQZYQBOSA-N
MW254.22 g/mol
LogP-0.42
Rot. Bonds3

About (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide

(4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 139075664) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide
PubChem CID139075664
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name(4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide
SMILESNC(=O)[C@@H]1OC(c2ccccc2F)O[C@H]1C(N)=O
InChIInChI=1S/C11H11FN2O4/c12-6-4-2-1-3-5(6)11-17-7(9(13)15)8(18-11)10(14)16/h1-4,7-8,11H,(H2,13,15)(H2,14,16)/t7-,8-/m1/s1
InChIKeyCHCCYENZMOXXIP-HTQZYQBOSA-N
XLogP-0.42
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-[1,3]dioxolane-4,5-dicarboxylic acid diamide
CID 570595
CID 91585808
CID 91585808
Benzyloxycarbonyloxysuccinimide
CID 22140026
2-(4-Fluorophenyl)-1,3-dioxolane-2-carboxamide
CID 69363262
[5-(Aminomethyl)-2-(2-fluorophenyl)-1,3-dioxolan-4-yl]methanamine
CID 142609879
[5-(Aminomethyl)-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]methanamine
CID 142609886
[5-(Aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine
CID 142609906
(4S,5S)-2-(2-bromophenyl)-1,3-dioxolane-4,5-dicarboxamide
CID 90735032
(4S,5S)-2-(4-Chlorophenyl)-1,3-dioxolane-4,5-dicarboxamide
CID 91074352
(4S,5S)-2-(3-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
CID 91178464
(1r,14r)-16-Phenyl-6,9,15,17-tetraoxa-3,12-di-azabicyclo[12.3.0]heptadecane-2,13-dione
CID 129741006
(4R,5R)-2-ethoxy-4-N,4-N,5-N,5-N-tetramethyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 134920209

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide (CID 139075664) is (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide is NC(=O)[C@@H]1OC(c2ccccc2F)O[C@H]1C(N)=O.
What is the InChIKey of (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is CHCCYENZMOXXIP-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-6-4-2-1-3-5(6)11-17-7(9(13)15)8(18-11)10(14)16/h1-4,7-8,11H,(H2,13,15)(H2,14,16)/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 254.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(2-fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 139075664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).