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

C13H16F2N2O2 — CID 61430371

IUPAC5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-17(7-8-3-2-4-19-8)13(18)9-5-12(16)11(15)6-10(9)14/h5-6,8H,2-4,7,16H2,1H3
InChIKeyFZLSTTHVFIQOTD-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.80
Rot. Bonds3

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

5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61430371) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61430371
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-17(7-8-3-2-4-19-8)13(18)9-5-12(16)11(15)6-10(9)14/h5-6,8H,2-4,7,16H2,1H3
InChIKeyFZLSTTHVFIQOTD-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 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 ≤ 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

5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
CID 107024526
oxolan-2-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61279294
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 115950596
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 61430371) is 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FZLSTTHVFIQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-17(7-8-3-2-4-19-8)13(18)9-5-12(16)11(15)6-10(9)14/h5-6,8H,2-4,7,16H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.80, 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-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61430371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).