2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide

C11H16FN3O — CID 115303646

IUPAC2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
SMILESCC(C)(N)CNc1ccc(F)cc1C(N)=O
InChIInChI=1S/C11H16FN3O/c1-11(2,14)6-15-9-4-3-7(12)5-8(9)10(13)16/h3-5,15H,6,14H2,1-2H3,(H2,13,16)
InChIKeyIBSXDTSTYOAZKU-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.07
Rot. Bonds4

About 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide

2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide (PubChem CID 115303646) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
PubChem CID115303646
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
SMILESCC(C)(N)CNc1ccc(F)cc1C(N)=O
InChIInChI=1S/C11H16FN3O/c1-11(2,14)6-15-9-4-3-7(12)5-8(9)10(13)16/h3-5,15H,6,14H2,1-2H3,(H2,13,16)
InChIKeyIBSXDTSTYOAZKU-UHFFFAOYSA-N
XLogP1.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
4-(2-carbamoyl-4-fluoroanilino)-4-methylpentanoic acid
CID 63674099
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide
CID 79523714
2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
CID 63731312
2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 114324590
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-fluorobenzenecarbothioamide
CID 63673011
2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
CID 63673977
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide?
The IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide (CID 115303646) is 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide is CC(C)(N)CNc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide?
The InChIKey is IBSXDTSTYOAZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2,14)6-15-9-4-3-7(12)5-8(9)10(13)16/h3-5,15H,6,14H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide?
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide has a molecular weight of 225.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide is sourced from PubChem (CID 115303646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).