3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide

C15H21FN2O2 — CID 63727256

IUPAC3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1c(N)cc(C(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-13(16)7-12(8-14(10)17)15(19)18(2)9-11-3-5-20-6-4-11/h7-8,11H,3-6,9,17H2,1-2H3
InChIKeyWBBHXRSCMWMAPJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.21
Rot. Bonds3

About 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide

3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63727256) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63727256
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1c(N)cc(C(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-13(16)7-12(8-14(10)17)15(19)18(2)9-11-3-5-20-6-4-11/h7-8,11H,3-6,9,17H2,1-2H3
InChIKeyWBBHXRSCMWMAPJ-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.21
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
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
N-(cyclopentylmethyl)-3,5-difluoro-4-hydrazinyl-N-methylbenzamide
CID 63656584
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide (CID 63727256) is 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide is Cc1c(N)cc(C(=O)N(C)CC2CCOCC2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is WBBHXRSCMWMAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-13(16)7-12(8-14(10)17)15(19)18(2)9-11-3-5-20-6-4-11/h7-8,11H,3-6,9,17H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 280.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63727256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).