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

C14H20F2N2O — CID 106164208

IUPACN-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
SMILESCCC(C)(CCN)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H20F2N2O/c1-4-14(3,7-8-17)18-13(19)11-10(15)6-5-9(2)12(11)16/h5-6H,4,7-8,17H2,1-3H3,(H,18,19)
InChIKeySFURAGFLOSDMBB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.52
Rot. Bonds5

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

N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide (PubChem CID 106164208) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
PubChem CID106164208
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
SMILESCCC(C)(CCN)NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H20F2N2O/c1-4-14(3,7-8-17)18-13(19)11-10(15)6-5-9(2)12(11)16/h5-6H,4,7-8,17H2,1-3H3,(H,18,19)
InChIKeySFURAGFLOSDMBB-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2,6-difluoro-3-methylbenzamide
CID 82815896
N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816226
2,6-difluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-3-methylbenzamide
CID 82799670
2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 82796858
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
CID 114026640
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
2-[[(2,6-difluoro-3-methylbenzoyl)amino]methyl]-2-methylbutanoic acid
CID 82814647
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
CID 103878793
N-(1-bromo-3-methylpentan-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106168958
N-(1-aminopentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816022
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide (CID 106164208) is N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide is CCC(C)(CCN)NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is SFURAGFLOSDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-14(3,7-8-17)18-13(19)11-10(15)6-5-9(2)12(11)16/h5-6H,4,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide?
N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 270.32 g/mol, XLogP of 2.52, 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)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 106164208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).