N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

C20H24FN3O2 — CID 9348198

IUPACN-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(16-7-5-4-6-8-16)24(3)20(26)14-23(2)13-19(25)22-18-11-9-17(21)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyPUCUHMQYAOWQBX-OAHLLOKOSA-N
MW357.43 g/mol
LogP2.92
Rot. Bonds7

About N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9348198) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID9348198
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(16-7-5-4-6-8-16)24(3)20(26)14-23(2)13-19(25)22-18-11-9-17(21)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyPUCUHMQYAOWQBX-OAHLLOKOSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8555813
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 9348195
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]amino]acetamide
CID 9253582
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
CID 9252985

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (CID 9348198) is N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is C[C@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is PUCUHMQYAOWQBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15(16-7-5-4-6-8-16)24(3)20(26)14-23(2)13-19(25)22-18-11-9-17(21)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9348198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).