2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H17BrF3N3O2 — CID 2609006

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17BrF3N3O2/c1-25(11-17(27)24-15-9-5-3-7-13(15)19)10-16(26)23-14-8-4-2-6-12(14)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyPIYZZMYURWBXRV-UHFFFAOYSA-N
MW444.25 g/mol
LogP3.98
Rot. Bonds6

About 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2609006) has the molecular formula C18H17BrF3N3O2 and a molecular weight of 444.25 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2609006
Molecular FormulaC18H17BrF3N3O2
Molecular Weight444.25 g/mol
Exact Mass443.05
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17BrF3N3O2/c1-25(11-17(27)24-15-9-5-3-7-13(15)19)10-16(26)23-14-8-4-2-6-12(14)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyPIYZZMYURWBXRV-UHFFFAOYSA-N
XLogP3.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.25
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
2-(4-{[(2-Fluorophenyl)carbamoyl]methyl}piperazin-1-YL)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3245837
N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2530900
7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 2857771
2-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)acetamide
CID 2091118
N-(2-Ethylphenyl)-2-((2-[(2-ethylphenyl)amino]-2-oxoethyl)amino)acetamide+
CID 2115083
N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2121356
N-(2-bromo-4-methylphenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 2125655

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2609006) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PIYZZMYURWBXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3N3O2/c1-25(11-17(27)24-15-9-5-3-7-13(15)19)10-16(26)23-14-8-4-2-6-12(14)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 444.25 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2609006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).