N-(4-aminobutyl)-2-(trifluoromethyl)benzamide

C12H15F3N2O — CID 60894679

IUPACN-(4-aminobutyl)-2-(trifluoromethyl)benzamide
SMILESNCCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-6-2-1-5-9(10)11(18)17-8-4-3-7-16/h1-2,5-6H,3-4,7-8,16H2,(H,17,18)
InChIKeyKIACQLLWSNNGMB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.17
Rot. Bonds5

About N-(4-aminobutyl)-2-(trifluoromethyl)benzamide

N-(4-aminobutyl)-2-(trifluoromethyl)benzamide (PubChem CID 60894679) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(trifluoromethyl)benzamide
PubChem CID60894679
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(4-aminobutyl)-2-(trifluoromethyl)benzamide
SMILESNCCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-6-2-1-5-9(10)11(18)17-8-4-3-7-16/h1-2,5-6H,3-4,7-8,16H2,(H,17,18)
InChIKeyKIACQLLWSNNGMB-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide
CID 106241135

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-aminobutyl)-2-(trifluoromethyl)benzamide (CID 60894679) is N-(4-aminobutyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-aminobutyl)-2-(trifluoromethyl)benzamide is NCCCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-aminobutyl)-2-(trifluoromethyl)benzamide?
The InChIKey is KIACQLLWSNNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-6-2-1-5-9(10)11(18)17-8-4-3-7-16/h1-2,5-6H,3-4,7-8,16H2,(H,17,18).
What are the key properties of N-(4-aminobutyl)-2-(trifluoromethyl)benzamide?
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide has a molecular weight of 260.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 60894679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).