N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide

C12H15F3N2O — CID 63183829

IUPACN-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
SMILESCCN(CCCN)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H15F3N2O/c1-2-17(5-3-4-16)12(18)8-6-9(13)11(15)10(14)7-8/h6-7H,2-5,16H2,1H3
InChIKeyDZVFTOUXUDGYOY-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.91
Rot. Bonds5

About N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide

N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide (PubChem CID 63183829) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
PubChem CID63183829
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
SMILESCCN(CCCN)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H15F3N2O/c1-2-17(5-3-4-16)12(18)8-6-9(13)11(15)10(14)7-8/h6-7H,2-5,16H2,1H3
InChIKeyDZVFTOUXUDGYOY-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.91
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,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide (CID 63183829) is N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide is CCN(CCCN)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide?
The InChIKey is DZVFTOUXUDGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-17(5-3-4-16)12(18)8-6-9(13)11(15)10(14)7-8/h6-7H,2-5,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide?
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide has a molecular weight of 260.26 g/mol, XLogP of 1.91, 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-ethyl-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63183829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).