2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride

C11H18Cl2FN3O — CID 119856698

IUPAC2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
SMILESCC(C)Nc1ccc(F)cc1NC(=O)CN.Cl.Cl
InChIInChI=1S/C11H16FN3O.2ClH/c1-7(2)14-9-4-3-8(12)5-10(9)15-11(16)6-13;;/h3-5,7,14H,6,13H2,1-2H3,(H,15,16);2*1H
InChIKeyJLXOVPIAWAFBON-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride

2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride (PubChem CID 119856698) has the molecular formula C11H18Cl2FN3O and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
PubChem CID119856698
Molecular FormulaC11H18Cl2FN3O
Molecular Weight298.19 g/mol
Exact Mass297.08
IUPAC Name2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
SMILESCC(C)Nc1ccc(F)cc1NC(=O)CN.Cl.Cl
InChIInChI=1S/C11H16FN3O.2ClH/c1-7(2)14-9-4-3-8(12)5-10(9)15-11(16)6-13;;/h3-5,7,14H,6,13H2,1-2H3,(H,15,16);2*1H
InChIKeyJLXOVPIAWAFBON-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-amino-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 83629960
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride (CID 119856698) is 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride is CC(C)Nc1ccc(F)cc1NC(=O)CN.Cl.Cl.
What is the InChIKey of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
The InChIKey is JLXOVPIAWAFBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O.2ClH/c1-7(2)14-9-4-3-8(12)5-10(9)15-11(16)6-13;;/h3-5,7,14H,6,13H2,1-2H3,(H,15,16);2*1H.
What are the key properties of 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride has a molecular weight of 298.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119856698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).