2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

C13H19FN2O2 — CID 82949201

IUPAC2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1cc(F)ccc1N)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-9(2)16(6-7-18-3)13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyTVUNYMOBYCSVBD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.90
Rot. Bonds5

About 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (PubChem CID 82949201) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
PubChem CID82949201
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1cc(F)ccc1N)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-9(2)16(6-7-18-3)13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyTVUNYMOBYCSVBD-UHFFFAOYSA-N
XLogP1.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.90
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-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
CID 82939321
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82937414
6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 103543338
2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 54905690
2-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylbenzamide
CID 62508733
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (CID 82949201) is 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is COCCN(C(=O)c1cc(F)ccc1N)C(C)C.
What is the InChIKey of 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is TVUNYMOBYCSVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16(6-7-18-3)13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 254.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 82949201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).