2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide

C13H18F3N3O — CID 62664652

IUPAC2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
SMILESCCCNCCNc1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C13H18F3N3O/c1-2-5-18-6-7-19-11-4-3-9(13(14,15)16)8-10(11)12(17)20/h3-4,8,18-19H,2,5-7H2,1H3,(H2,17,20)
InChIKeyLBYKFORUAOFQNQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.22
Rot. Bonds7

About 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide

2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide (PubChem CID 62664652) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
PubChem CID62664652
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
SMILESCCCNCCNc1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C13H18F3N3O/c1-2-5-18-6-7-19-11-4-3-9(13(14,15)16)8-10(11)12(17)20/h3-4,8,18-19H,2,5-7H2,1H3,(H2,17,20)
InChIKeyLBYKFORUAOFQNQ-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
2-[2-(methanesulfonamido)ethylamino]-5-(trifluoromethyl)benzenecarbothioamide
CID 43546238
ethyl 2-[2-carbamothioyl-4-(trifluoromethyl)anilino]acetate
CID 60810513
N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide
CID 113252829
2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide
CID 115308217
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
N-methoxy-N-methyl-2-(propylamino)-4-(trifluoromethyl)benzamide
CID 86649954
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide (CID 62664652) is 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide is CCCNCCNc1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide?
The InChIKey is LBYKFORUAOFQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-5-18-6-7-19-11-4-3-9(13(14,15)16)8-10(11)12(17)20/h3-4,8,18-19H,2,5-7H2,1H3,(H2,17,20).
What are the key properties of 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide?
2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 62664652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).