N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide

C13H15F3N2O — CID 79749886

IUPACN-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)c(F)c1F)C1CNC1
InChIInChI=1S/C13H15F3N2O/c1-2-5-18(8-6-17-7-8)13(19)9-3-4-10(14)12(16)11(9)15/h3-4,8,17H,2,5-7H2,1H3
InChIKeyPNEAAHIKUIWCGH-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.93
Rot. Bonds4

About N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide

N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide (PubChem CID 79749886) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
PubChem CID79749886
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)c(F)c1F)C1CNC1
InChIInChI=1S/C13H15F3N2O/c1-2-5-18(8-6-17-7-8)13(19)9-3-4-10(14)12(16)11(9)15/h3-4,8,17H,2,5-7H2,1H3
InChIKeyPNEAAHIKUIWCGH-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
CID 114030457
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749875
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
CID 105380347
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide
CID 113439411
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide (CID 79749886) is N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide is CCCN(C(=O)c1ccc(F)c(F)c1F)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide?
The InChIKey is PNEAAHIKUIWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-2-5-18(8-6-17-7-8)13(19)9-3-4-10(14)12(16)11(9)15/h3-4,8,17H,2,5-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide?
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide has a molecular weight of 272.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide is sourced from PubChem (CID 79749886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).