N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride

C13H18ClF3N2O — CID 119497448

IUPACN-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(N)CCNC(=O)Cc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-9(17)6-7-18-12(19)8-10-2-4-11(5-3-10)13(14,15)16;/h2-5,9H,6-8,17H2,1H3,(H,18,19);1H
InChIKeyMTPHTXKHWHDNAZ-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.52
Rot. Bonds5

About N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride

N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119497448) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119497448
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC NameN-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(N)CCNC(=O)Cc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-9(17)6-7-18-12(19)8-10-2-4-11(5-3-10)13(14,15)16;/h2-5,9H,6-8,17H2,1H3,(H,18,19);1H
InChIKeyMTPHTXKHWHDNAZ-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119497448) is N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is CC(N)CCNC(=O)Cc1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is MTPHTXKHWHDNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c1-9(17)6-7-18-12(19)8-10-2-4-11(5-3-10)13(14,15)16;/h2-5,9H,6-8,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 310.75 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-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119497448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).