N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride

C15H21ClF4N2O — CID 119661470

IUPACN-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H20F4N2O.ClH/c1-9(2)13(20)4-5-21(3)14(22)10-6-11(15(17,18)19)8-12(16)7-10;/h6-9,13H,4-5,20H2,1-3H3;1H
InChIKeyKYZSZNSBRSBSOO-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.71
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119661470) has the molecular formula C15H21ClF4N2O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119661470
Molecular FormulaC15H21ClF4N2O
Molecular Weight356.79 g/mol
Exact Mass356.13
IUPAC NameN-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H20F4N2O.ClH/c1-9(2)13(20)4-5-21(3)14(22)10-6-11(15(17,18)19)8-12(16)7-10;/h6-9,13H,4-5,20H2,1-3H3;1H
InChIKeyKYZSZNSBRSBSOO-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
3-[[3-fluoro-5-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119362318
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride (CID 119661470) is N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is KYZSZNSBRSBSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O.ClH/c1-9(2)13(20)4-5-21(3)14(22)10-6-11(15(17,18)19)8-12(16)7-10;/h6-9,13H,4-5,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 356.79 g/mol, XLogP of 3.71, 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)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119661470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).