N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide

C13H13F5N2O — CID 43607904

IUPACN-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
SMILESNCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C13H13F5N2O/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20(5-1-4-19)6-2-3-6/h6H,1-5,19H2
InChIKeyTXRQWCSJRBJLBI-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.34
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide

N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 43607904) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID43607904
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
SMILESNCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C13H13F5N2O/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20(5-1-4-19)6-2-3-6/h6H,1-5,19H2
InChIKeyTXRQWCSJRBJLBI-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide
CID 43319289
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(2-chloroethyl)-N-cyclobutyl-2,3,4,5,6-pentafluorobenzamide
CID 102872717
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(3-aminopropyl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 43136754
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
CID 43136724
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102874150
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide (CID 43607904) is N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide is NCCCN(C(=O)c1c(F)c(F)c(F)c(F)c1F)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is TXRQWCSJRBJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20(5-1-4-19)6-2-3-6/h6H,1-5,19H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide?
N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 308.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 43607904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).