2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide

C22H18Cl3FN2O — CID 16609246

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18Cl3FN2O/c1-28(13-20(29)27-21-18(24)11-16(23)12-19(21)25)22(14-5-3-2-4-6-14)15-7-9-17(26)10-8-15/h2-12,22H,13H2,1H3,(H,27,29)
InChIKeyCHLATCALUWITLI-UHFFFAOYSA-N
MW451.76 g/mol
LogP6.45
Rot. Bonds6

About 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide

2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 16609246) has the molecular formula C22H18Cl3FN2O and a molecular weight of 451.76 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID16609246
Molecular FormulaC22H18Cl3FN2O
Molecular Weight451.76 g/mol
Exact Mass450.05
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18Cl3FN2O/c1-28(13-20(29)27-21-18(24)11-16(23)12-19(21)25)22(14-5-3-2-4-6-14)15-7-9-17(26)10-8-15/h2-12,22H,13H2,1H3,(H,27,29)
InChIKeyCHLATCALUWITLI-UHFFFAOYSA-N
XLogP6.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 26249409
2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8730143
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 16962341
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate
CID 166434608
2-[benzhydryl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8730199
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
2-(2-hydroxyphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 62000709

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide (CID 16609246) is 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide is CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is CHLATCALUWITLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3FN2O/c1-28(13-20(29)27-21-18(24)11-16(23)12-19(21)25)22(14-5-3-2-4-6-14)15-7-9-17(26)10-8-15/h2-12,22H,13H2,1H3,(H,27,29).
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 451.76 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 16609246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).