2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide

C13H20FN3O — CID 79652666

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
SMILESCN(CC(C)(C)CN)c1cccc(F)c1C(N)=O
InChIInChI=1S/C13H20FN3O/c1-13(2,7-15)8-17(3)10-6-4-5-9(14)11(10)12(16)18/h4-6H,7-8,15H2,1-3H3,(H2,16,18)
InChIKeyCSFQBPHIWLGWSK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.35
Rot. Bonds5

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide (PubChem CID 79652666) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
PubChem CID79652666
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
SMILESCN(CC(C)(C)CN)c1cccc(F)c1C(N)=O
InChIInChI=1S/C13H20FN3O/c1-13(2,7-15)8-17(3)10-6-4-5-9(14)11(10)12(16)18/h4-6H,7-8,15H2,1-3H3,(H2,16,18)
InChIKeyCSFQBPHIWLGWSK-UHFFFAOYSA-N
XLogP1.35
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carbamoyl-N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 79513921
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-6-fluorobenzoate
CID 119991903
4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
CID 115157287
4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-bromobenzamide
CID 82810214
CID 161042703
CID 161042703
1-(2-amino-3-fluoro-N-methylanilino)-2-methylpropan-2-ol
CID 79380492
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647649
3-amino-1-(2-chloro-6-fluorophenyl)-2,2-dimethylpropan-1-one
CID 130512257
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide (CID 79652666) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide is CN(CC(C)(C)CN)c1cccc(F)c1C(N)=O.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide?
The InChIKey is CSFQBPHIWLGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-13(2,7-15)8-17(3)10-6-4-5-9(14)11(10)12(16)18/h4-6H,7-8,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide has a molecular weight of 253.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide is sourced from PubChem (CID 79652666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).