N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide

C23H22BrFN2O — CID 16609224

IUPACN-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22BrFN2O/c1-16-14-19(24)10-13-21(16)26-22(28)15-27(2)23(17-6-4-3-5-7-17)18-8-11-20(25)12-9-18/h3-14,23H,15H2,1-2H3,(H,26,28)
InChIKeyGSTHXMBPKGBQCD-UHFFFAOYSA-N
MW441.34 g/mol
LogP5.56
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide (PubChem CID 16609224) has the molecular formula C23H22BrFN2O and a molecular weight of 441.34 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
PubChem CID16609224
Molecular FormulaC23H22BrFN2O
Molecular Weight441.34 g/mol
Exact Mass440.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22BrFN2O/c1-16-14-19(24)10-13-21(16)26-22(28)15-27(2)23(17-6-4-3-5-7-17)18-8-11-20(25)12-9-18/h3-14,23H,15H2,1-2H3,(H,26,28)
InChIKeyGSTHXMBPKGBQCD-UHFFFAOYSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
CID 46802089
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 16609246
N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 26249409
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911650
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 16962341
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133902
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide (CID 16609224) is N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
The InChIKey is GSTHXMBPKGBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN2O/c1-16-14-19(24)10-13-21(16)26-22(28)15-27(2)23(17-6-4-3-5-7-17)18-8-11-20(25)12-9-18/h3-14,23H,15H2,1-2H3,(H,26,28).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide has a molecular weight of 441.34 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide is sourced from PubChem (CID 16609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).