N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide

C13H18F2N2O — CID 82816022

IUPACN-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
SMILESCCCC(CN)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H18F2N2O/c1-3-4-9(7-16)17-13(18)11-10(14)6-5-8(2)12(11)15/h5-6,9H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeySAJMSIXTAJTYMO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.13
Rot. Bonds5

About N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide

N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82816022) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
PubChem CID82816022
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
SMILESCCCC(CN)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H18F2N2O/c1-3-4-9(7-16)17-13(18)11-10(14)6-5-8(2)12(11)15/h5-6,9H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeySAJMSIXTAJTYMO-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553
N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
CID 65191269
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82814814
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
CID 82816389
N-(1-aminobutan-2-yl)-2,6-difluoro-3-nitrobenzamide
CID 79772922
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 65190967
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956167
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide (CID 82816022) is N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide is CCCC(CN)NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is SAJMSIXTAJTYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-4-9(7-16)17-13(18)11-10(14)6-5-8(2)12(11)15/h5-6,9H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide?
N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82816022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).