4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H19FN2O2 — CID 63726052

IUPAC4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-17(9-10-4-6-19-7-5-10)14(18)11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9,16H2,1H3
InChIKeyOIAMFVNLDZFSTG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.91
Rot. Bonds3

About 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63726052) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63726052
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-17(9-10-4-6-19-7-5-10)14(18)11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9,16H2,1H3
InChIKeyOIAMFVNLDZFSTG-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.91
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-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 63726052) is 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is OIAMFVNLDZFSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(9-10-4-6-19-7-5-10)14(18)11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9,16H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63726052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).