2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide

C18H18F3N3O3 — CID 4883001

IUPAC2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H18F3N3O3/c1-9(18(26)24-13-6-5-12(19)16(20)17(13)21)22-14-8-11(23-10(2)25)4-7-15(14)27-3/h4-9,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyFUQITBRZYGKPHI-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.51
Rot. Bonds6

About 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide

2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 4883001) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID4883001
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H18F3N3O3/c1-9(18(26)24-13-6-5-12(19)16(20)17(13)21)22-14-8-11(23-10(2)25)4-7-15(14)27-3/h4-9,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyFUQITBRZYGKPHI-UHFFFAOYSA-N
XLogP3.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 4883001) is 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is FUQITBRZYGKPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-9(18(26)24-13-6-5-12(19)16(20)17(13)21)22-14-8-11(23-10(2)25)4-7-15(14)27-3/h4-9,22H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide?
2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 381.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 4883001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).