4-amino-2-fluoro-N-(2-methoxypropyl)benzamide

C11H15FN2O2 — CID 102694265

IUPAC4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H15FN2O2/c1-7(16-2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeySRAZBUKAAXGNJZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.17
Rot. Bonds4

About 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide

4-amino-2-fluoro-N-(2-methoxypropyl)benzamide (PubChem CID 102694265) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
PubChem CID102694265
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H15FN2O2/c1-7(16-2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeySRAZBUKAAXGNJZ-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 113342355
4-amino-N-(2-cyanopropyl)-2-fluorobenzamide
CID 107794464
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide (CID 102694265) is 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide is COC(C)CNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide?
The InChIKey is SRAZBUKAAXGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(16-2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide?
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide has a molecular weight of 226.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 102694265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).