4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide

C12H16FN3O2 — CID 106095377

IUPAC4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H16FN3O2/c1-12(2,6-10(15)17)16-11(18)7-3-4-9(14)8(13)5-7/h3-5H,6,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyAYMBNLWUVQBVHE-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide

4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide (PubChem CID 106095377) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
PubChem CID106095377
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H16FN3O2/c1-12(2,6-10(15)17)16-11(18)7-3-4-9(14)8(13)5-7/h3-5H,6,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyAYMBNLWUVQBVHE-UHFFFAOYSA-N
XLogP0.79
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 63188710
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 106098592
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106098142
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(3-aminoprop-1-ynyl)-3-methylbenzamide
CID 106098220
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 106098173

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide (CID 106095377) is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide is CC(C)(CC(N)=O)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide?
The InChIKey is AYMBNLWUVQBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-12(2,6-10(15)17)16-11(18)7-3-4-9(14)8(13)5-7/h3-5H,6,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide?
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 106095377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).