4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide

C15H23FN2O — CID 62682424

IUPAC4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-14(2,3)9-15(4,5)18-13(19)10-6-7-12(17)11(16)8-10/h6-8H,9,17H2,1-5H3,(H,18,19)
InChIKeyFIUVDYJYNXEESE-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.35
Rot. Bonds3

About 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide

4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 62682424) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID62682424
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-14(2,3)9-15(4,5)18-13(19)10-6-7-12(17)11(16)8-10/h6-8H,9,17H2,1-5H3,(H,18,19)
InChIKeyFIUVDYJYNXEESE-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 63188710
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62509238
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 62682424) is 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is FIUVDYJYNXEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-14(2,3)9-15(4,5)18-13(19)10-6-7-12(17)11(16)8-10/h6-8H,9,17H2,1-5H3,(H,18,19).
What are the key properties of 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 266.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 62682424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).