N-(4-aminopentyl)-3-(trifluoromethyl)benzamide

C13H17F3N2O — CID 106122605

IUPACN-(4-aminopentyl)-3-(trifluoromethyl)benzamide
SMILESCC(N)CCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(17)4-3-7-18-12(19)10-5-2-6-11(8-10)13(14,15)16/h2,5-6,8-9H,3-4,7,17H2,1H3,(H,18,19)
InChIKeyONGNFRPACTZSHR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.56
Rot. Bonds5

About N-(4-aminopentyl)-3-(trifluoromethyl)benzamide

N-(4-aminopentyl)-3-(trifluoromethyl)benzamide (PubChem CID 106122605) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(4-aminopentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-3-(trifluoromethyl)benzamide
PubChem CID106122605
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(4-aminopentyl)-3-(trifluoromethyl)benzamide
SMILESCC(N)CCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(17)4-3-7-18-12(19)10-5-2-6-11(8-10)13(14,15)16/h2,5-6,8-9H,3-4,7,17H2,1H3,(H,18,19)
InChIKeyONGNFRPACTZSHR-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.56
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

N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-aminopentyl)-3-(trifluoromethyl)benzamide (CID 106122605) is N-(4-aminopentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-aminopentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-aminopentyl)-3-(trifluoromethyl)benzamide is CC(N)CCCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-aminopentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ONGNFRPACTZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(17)4-3-7-18-12(19)10-5-2-6-11(8-10)13(14,15)16/h2,5-6,8-9H,3-4,7,17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminopentyl)-3-(trifluoromethyl)benzamide?
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide has a molecular weight of 274.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106122605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).