4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide

C13H18F2N2O — CID 106331348

IUPAC4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-13(3,5-2)17-12(18)8-6-9(14)11(16)10(15)7-8/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyJZKZGVHURMCVKS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.86
Rot. Bonds4

About 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide

4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide (PubChem CID 106331348) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
PubChem CID106331348
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-13(3,5-2)17-12(18)8-6-9(14)11(16)10(15)7-8/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyJZKZGVHURMCVKS-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.86
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

3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide
CID 64550324
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331541
4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
CID 103464640
2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 106331302
2-[(4-amino-3-chloro-5-fluorobenzoyl)amino]-2-ethylbutanoic acid
CID 142416042
4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
CID 114174177

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide (CID 106331348) is 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is JZKZGVHURMCVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-13(3,5-2)17-12(18)8-6-9(14)11(16)10(15)7-8/h6-7H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide?
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 256.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 106331348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).