N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride

C14H21ClF2N2O — CID 119658393

IUPACN-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(F)ccc1F.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-9(2)13(17)6-7-18(3)14(19)11-8-10(15)4-5-12(11)16;/h4-5,8-9,13H,6-7,17H2,1-3H3;1H
InChIKeyYEBHFINMEUKAKK-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.83
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride (PubChem CID 119658393) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
PubChem CID119658393
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC NameN-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(F)ccc1F.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-9(2)13(17)6-7-18(3)14(19)11-8-10(15)4-5-12(11)16;/h4-5,8-9,13H,6-7,17H2,1-3H3;1H
InChIKeyYEBHFINMEUKAKK-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 119660333
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119658286
N-(3-amino-4-methylpentyl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119657391
N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119658836
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
CID 115318269
N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119659165

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride (CID 119658393) is N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc(F)ccc1F.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride?
The InChIKey is YEBHFINMEUKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-9(2)13(17)6-7-18(3)14(19)11-8-10(15)4-5-12(11)16;/h4-5,8-9,13H,6-7,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.83, 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)-2,5-difluoro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119658393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).