N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide

C13H17F3N2O2 — CID 86649954

IUPACN-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide
SMILESCCCNc1cc(C(F)(F)F)ccc1C(=O)N(C)OC
InChIInChI=1S/C13H17F3N2O2/c1-4-7-17-11-8-9(13(14,15)16)5-6-10(11)12(19)18(2)20-3/h5-6,8,17H,4,7H2,1-3H3
InChIKeyKZQFFMGVSBBFNN-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.16
Rot. Bonds5

About N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide

N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide (PubChem CID 86649954) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide
PubChem CID86649954
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide
SMILESCCCNc1cc(C(F)(F)F)ccc1C(=O)N(C)OC
InChIInChI=1S/C13H17F3N2O2/c1-4-7-17-11-8-9(13(14,15)16)5-6-10(11)12(19)18(2)20-3/h5-6,8,17H,4,7H2,1-3H3
InChIKeyKZQFFMGVSBBFNN-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide 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,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide
CID 113252829
2-butoxy-N-methoxy-N-methyl-4-(trifluoromethyl)benzamide;2-butoxy-4-(trifluoromethyl)benzaldehyde
CID 160601755
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
CID 62664652
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
methyl 2-[(3-chloro-2-hydroxypropyl)amino]-4-(trifluoromethyl)benzoate
CID 168636571
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide (CID 86649954) is N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide is CCCNc1cc(C(F)(F)F)ccc1C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide?
The InChIKey is KZQFFMGVSBBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-4-7-17-11-8-9(13(14,15)16)5-6-10(11)12(19)18(2)20-3/h5-6,8,17H,4,7H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide?
N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide has a molecular weight of 290.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86649954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).