N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide

C13H18F3N3O — CID 62171664

IUPACN-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)NCCN(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-17-11-5-4-9(8-10(11)13(14,15)16)12(20)18-6-7-19(2)3/h4-5,8,17H,6-7H2,1-3H3,(H,18,20)
InChIKeyUHHPRPMSTJECRC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide

N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide (PubChem CID 62171664) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
PubChem CID62171664
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)NCCN(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-17-11-5-4-9(8-10(11)13(14,15)16)12(20)18-6-7-19(2)3/h4-5,8,17H,6-7H2,1-3H3,(H,18,20)
InChIKeyUHHPRPMSTJECRC-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 166428252
N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
CID 62168801
N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109167733
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide (CID 62171664) is N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide is CNc1ccc(C(=O)NCCN(C)C)cc1C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide?
The InChIKey is UHHPRPMSTJECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-17-11-5-4-9(8-10(11)13(14,15)16)12(20)18-6-7-19(2)3/h4-5,8,17H,6-7H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62171664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).