2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C18H17F4N3O2 — CID 9034646

IUPAC2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1F
InChIInChI=1S/C18H17F4N3O2/c1-25(9-11-4-2-3-5-12(11)19)10-16(27)23-8-15(26)24-14-7-6-13(20)17(21)18(14)22/h2-7H,8-10H2,1H3,(H,23,27)(H,24,26)
InChIKeyOCSPZJBWFBJYFY-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.43
Rot. Bonds7

About 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9034646) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9034646
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1F
InChIInChI=1S/C18H17F4N3O2/c1-25(9-11-4-2-3-5-12(11)19)10-16(27)23-8-15(26)24-14-7-6-13(20)17(21)18(14)22/h2-7H,8-10H2,1H3,(H,23,27)(H,24,26)
InChIKeyOCSPZJBWFBJYFY-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.43
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-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9198919
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109000255
2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9118016
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528
2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111361100
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9034646) is 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1F.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is OCSPZJBWFBJYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c1-25(9-11-4-2-3-5-12(11)19)10-16(27)23-8-15(26)24-14-7-6-13(20)17(21)18(14)22/h2-7H,8-10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 383.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9034646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).