N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide

C16H20F6N2O — CID 119659005

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F6N2O/c1-9(2)13(23)4-5-24(3)14(25)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-9,13H,4-5,23H2,1-3H3
InChIKeyBCNVNKDNHMLLQU-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.17
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 119659005) has the molecular formula C16H20F6N2O and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID119659005
Molecular FormulaC16H20F6N2O
Molecular Weight370.34 g/mol
Exact Mass370.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F6N2O/c1-9(2)13(23)4-5-24(3)14(25)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-9,13H,4-5,23H2,1-3H3
InChIKeyBCNVNKDNHMLLQU-UHFFFAOYSA-N
XLogP4.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
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-chloro-N,5-dimethylbenzamide
CID 115317476
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119661315

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 119659005) is N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide is CC(C)C(N)CCN(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is BCNVNKDNHMLLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6N2O/c1-9(2)13(23)4-5-24(3)14(25)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-9,13H,4-5,23H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 370.34 g/mol, XLogP of 4.17, 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)-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 119659005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).