N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide

C13H15F3N2O2 — CID 43319289

IUPACN-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNCCCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CC1
InChIInChI=1S/C13H15F3N2O2/c14-9-6-8(10(15)12(19)11(9)16)13(20)18(5-1-4-17)7-2-3-7/h6-7,19H,1-5,17H2
InChIKeyGJVJQKPCLSTLGH-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.76
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide

N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 43319289) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID43319289
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNCCCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CC1
InChIInChI=1S/C13H15F3N2O2/c14-9-6-8(10(15)12(19)11(9)16)13(20)18(5-1-4-17)7-2-3-7/h6-7,19H,1-5,17H2
InChIKeyGJVJQKPCLSTLGH-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
CID 43607904
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide (CID 43319289) is N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide is NCCCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is GJVJQKPCLSTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-9-6-8(10(15)12(19)11(9)16)13(20)18(5-1-4-17)7-2-3-7/h6-7,19H,1-5,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide?
N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 288.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 43319289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).