4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide

C18H18F3N3O2 — CID 166428252

IUPAC4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(NCCNC(=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c1-22-16(25)13-7-8-15(14(11-13)18(19,20)21)23-9-10-24-17(26)12-5-3-2-4-6-12/h2-8,11,23H,9-10H2,1H3,(H,22,25)(H,24,26)
InChIKeyUSICJGXNSIZFFZ-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.91
Rot. Bonds6

About 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide

4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 166428252) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID166428252
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(NCCNC(=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c1-22-16(25)13-7-8-15(14(11-13)18(19,20)21)23-9-10-24-17(26)12-5-3-2-4-6-12/h2-8,11,23H,9-10H2,1H3,(H,22,25)(H,24,26)
InChIKeyUSICJGXNSIZFFZ-UHFFFAOYSA-N
XLogP2.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.91
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

N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
N-methylbenzamide
CID 11954
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide (CID 166428252) is 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide is CNC(=O)c1ccc(NCCNC(=O)c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is USICJGXNSIZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-22-16(25)13-7-8-15(14(11-13)18(19,20)21)23-9-10-24-17(26)12-5-3-2-4-6-12/h2-8,11,23H,9-10H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide?
4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 365.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 166428252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).