4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide

C13H16F2N2O2 — CID 55160806

IUPAC4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cc(F)c(N)c(F)c1)C1CCOCC1
InChIInChI=1S/C13H16F2N2O2/c1-17(9-2-4-19-5-3-9)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,2-5,16H2,1H3
InChIKeyMNVXHRSMDICGFN-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.80
Rot. Bonds2

About 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide

4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 55160806) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID55160806
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cc(F)c(N)c(F)c1)C1CCOCC1
InChIInChI=1S/C13H16F2N2O2/c1-17(9-2-4-19-5-3-9)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,2-5,16H2,1H3
InChIKeyMNVXHRSMDICGFN-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide (CID 55160806) is 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1cc(F)c(N)c(F)c1)C1CCOCC1.
What is the InChIKey of 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is MNVXHRSMDICGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-17(9-2-4-19-5-3-9)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,2-5,16H2,1H3.
What are the key properties of 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide?
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 55160806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).