N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

C20H21F3N2O3 — CID 55545672

IUPACN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C20H21F3N2O3/c1-13-3-8-17(11-14(13)2)28-12-18(26)24-9-10-25-19(27)15-4-6-16(7-5-15)20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyONHJMPYPLJXASK-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.25
Rot. Bonds7

About N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 55545672) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID55545672
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C20H21F3N2O3/c1-13-3-8-17(11-14(13)2)28-12-18(26)24-9-10-25-19(27)15-4-6-16(7-5-15)20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyONHJMPYPLJXASK-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
CID 2987876
3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
CID 55917606
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
[4-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932305
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-4-ethoxybenzamide
CID 108540524
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 55545672) is N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ONHJMPYPLJXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13-3-8-17(11-14(13)2)28-12-18(26)24-9-10-25-19(27)15-4-6-16(7-5-15)20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 394.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 55545672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).