N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide

C19H19BrF3N3O2 — CID 2698558

IUPACN-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(Br)c1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H19BrF3N3O2/c1-2-8-26(10-16(27)24-13-5-3-4-12(20)9-13)11-17(28)25-15-7-6-14(21)18(22)19(15)23/h3-7,9H,2,8,10-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyFEFGUOLLTSDSHQ-UHFFFAOYSA-N
MW458.28 g/mol
LogP4.16
Rot. Bonds8

About N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide

N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide (PubChem CID 2698558) has the molecular formula C19H19BrF3N3O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
PubChem CID2698558
Molecular FormulaC19H19BrF3N3O2
Molecular Weight458.28 g/mol
Exact Mass457.06
IUPAC NameN-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(Br)c1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H19BrF3N3O2/c1-2-8-26(10-16(27)24-13-5-3-4-12(20)9-13)11-17(28)25-15-7-6-14(21)18(22)19(15)23/h3-7,9H,2,8,10-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyFEFGUOLLTSDSHQ-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide (CID 2698558) is N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1cccc(Br)c1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The InChIKey is FEFGUOLLTSDSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N3O2/c1-2-8-26(10-16(27)24-13-5-3-4-12(20)9-13)11-17(28)25-15-7-6-14(21)18(22)19(15)23/h3-7,9H,2,8,10-11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide has a molecular weight of 458.28 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide is sourced from PubChem (CID 2698558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).