2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H17FN2O2 — CID 55100104

IUPAC2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C13H17FN2O2/c1-16(8-9-4-3-7-18-9)13(17)10-5-2-6-11(14)12(10)15/h2,5-6,9H,3-4,7-8,15H2,1H3
InChIKeyNIPCTJHROZTRSO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide

2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55100104) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55100104
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C13H17FN2O2/c1-16(8-9-4-3-7-18-9)13(17)10-5-2-6-11(14)12(10)15/h2,5-6,9H,3-4,7-8,15H2,1H3
InChIKeyNIPCTJHROZTRSO-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.66
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

2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61430371
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
CID 107024526
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide
CID 175641343
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 55100104) is 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NIPCTJHROZTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16(8-9-4-3-7-18-9)13(17)10-5-2-6-11(14)12(10)15/h2,5-6,9H,3-4,7-8,15H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55100104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).