N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide

C14H20F2N2O — CID 81484058

IUPACN-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O/c1-9(2)12(17)7-8-18(3)14(19)13-10(15)5-4-6-11(13)16/h4-6,9,12H,7-8,17H2,1-3H3
InChIKeyHYTYILJHECXILY-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.41
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide

N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide (PubChem CID 81484058) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
PubChem CID81484058
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O/c1-9(2)12(17)7-8-18(3)14(19)13-10(15)5-4-6-11(13)16/h4-6,9,12H,7-8,17H2,1-3H3
InChIKeyHYTYILJHECXILY-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119660562
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
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N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide
CID 115317493
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
CID 119661444
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
CID 119659701

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide (CID 81484058) is N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1c(F)cccc1F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide?
The InChIKey is HYTYILJHECXILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)12(17)7-8-18(3)14(19)13-10(15)5-4-6-11(13)16/h4-6,9,12H,7-8,17H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide has a molecular weight of 270.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 81484058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).