N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide

C20H24FN3O2 — CID 38045516

IUPACN-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O2/c1-3-15-4-6-17(7-5-15)14-24(2)19(25)13-23-20(26)22-12-16-8-10-18(21)11-9-16/h4-11H,3,12-14H2,1-2H3,(H2,22,23,26)
InChIKeyYCJJHMWIOBOWGL-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.85
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide

N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide (PubChem CID 38045516) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
PubChem CID38045516
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O2/c1-3-15-4-6-17(7-5-15)14-24(2)19(25)13-23-20(26)22-12-16-8-10-18(21)11-9-16/h4-11H,3,12-14H2,1-2H3,(H2,22,23,26)
InChIKeyYCJJHMWIOBOWGL-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704
N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
CID 78855212
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 35412970
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86989035
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8571043
N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 30288758
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide (CID 38045516) is N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide is CCc1ccc(CN(C)C(=O)CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
The InChIKey is YCJJHMWIOBOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-15-4-6-17(7-5-15)14-24(2)19(25)13-23-20(26)22-12-16-8-10-18(21)11-9-16/h4-11H,3,12-14H2,1-2H3,(H2,22,23,26).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide has a molecular weight of 357.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide is sourced from PubChem (CID 38045516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).