N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide

C13H16F2N2O2 — CID 47444330

IUPACN-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide
SMILESCN(C)c1c(F)cc(NC(=O)C2CCOC2)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-17(2)12-10(14)5-9(6-11(12)15)16-13(18)8-3-4-19-7-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyWXJARGAVBOSARM-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.01
Rot. Bonds3

About N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide

N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide (PubChem CID 47444330) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide
PubChem CID47444330
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide
SMILESCN(C)c1c(F)cc(NC(=O)C2CCOC2)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-17(2)12-10(14)5-9(6-11(12)15)16-13(18)8-3-4-19-7-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyWXJARGAVBOSARM-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-Difluorophenyl)-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91905702
1-(3-Fluorophenyl)-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91905732
3-[(Oxolan-3-YL)methyl]-3-propyl-1-(3,4,5-trifluorophenyl)urea
CID 91915427
1-(4-Fluorophenyl)-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91915444
3-(2-Fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
CID 91915460
1-(2,5-Difluorophenyl)-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91915461
1-(3,5-Difluorophenyl)-3-methyl-3-[(oxolan-3-YL)methyl]urea
CID 110875817
1-(2,5-Difluorophenyl)-3-methyl-3-[(oxolan-3-YL)methyl]urea
CID 110875847
N-(3-acetamido-4-fluorophenyl)oxolane-3-carboxamide
CID 47081601
N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide
CID 51094437
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide
CID 71893213
N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide
CID 75520898

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide (CID 47444330) is N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide is CN(C)c1c(F)cc(NC(=O)C2CCOC2)cc1F.
What is the InChIKey of N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide?
The InChIKey is WXJARGAVBOSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-17(2)12-10(14)5-9(6-11(12)15)16-13(18)8-3-4-19-7-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide?
N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,5-difluorophenyl]oxolane-3-carboxamide is sourced from PubChem (CID 47444330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).