5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H18F2N2O2 — CID 63726220

IUPAC5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-18(8-9-2-4-20-5-3-9)14(19)10-6-13(17)12(16)7-11(10)15/h6-7,9H,2-5,8,17H2,1H3
InChIKeyLBSLUMCATJHZNQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.05
Rot. Bonds3

About 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63726220) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63726220
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-18(8-9-2-4-20-5-3-9)14(19)10-6-13(17)12(16)7-11(10)15/h6-7,9H,2-5,8,17H2,1H3
InChIKeyLBSLUMCATJHZNQ-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.05
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-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61430371
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
oxolan-3-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61316191

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 63726220) is 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is LBSLUMCATJHZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-18(8-9-2-4-20-5-3-9)14(19)10-6-13(17)12(16)7-11(10)15/h6-7,9H,2-5,8,17H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).