N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide

C13H19FN2O — CID 106164885

IUPACN-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
SMILESCCC(C)(CCN)NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-13(2,7-8-15)16-12(17)10-5-4-6-11(14)9-10/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyRQHNQZJJJSDEPZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds5

About N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide

N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide (PubChem CID 106164885) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
PubChem CID106164885
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
SMILESCCC(C)(CCN)NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-13(2,7-8-15)16-12(17)10-5-4-6-11(14)9-10/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyRQHNQZJJJSDEPZ-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
CID 106164117
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
CID 106164208
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 175047461
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide (CID 106164885) is N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide is CCC(C)(CCN)NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide?
The InChIKey is RQHNQZJJJSDEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-13(2,7-8-15)16-12(17)10-5-4-6-11(14)9-10/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide?
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide is sourced from PubChem (CID 106164885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).