2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C21H23ClF3N3O2 — CID 27221850

IUPAC2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C21H23ClF3N3O2/c1-4-7-28(10-17(29)26-16-6-5-15(23)19(24)20(16)25)11-18(30)27-21-13(3)8-12(2)9-14(21)22/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWYZUCYWRQPVBSM-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.66
Rot. Bonds8

About 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 27221850) has the molecular formula C21H23ClF3N3O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID27221850
Molecular FormulaC21H23ClF3N3O2
Molecular Weight441.88 g/mol
Exact Mass441.14
IUPAC Name2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C21H23ClF3N3O2/c1-4-7-28(10-17(29)26-16-6-5-15(23)19(24)20(16)25)11-18(30)27-21-13(3)8-12(2)9-14(21)22/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWYZUCYWRQPVBSM-UHFFFAOYSA-N
XLogP4.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24509284
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 27221850) is 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is WYZUCYWRQPVBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O2/c1-4-7-28(10-17(29)26-16-6-5-15(23)19(24)20(16)25)11-18(30)27-21-13(3)8-12(2)9-14(21)22/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 441.88 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 27221850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).