2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C20H22F3N3O2 — CID 24609966

IUPAC2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-13-6-8-15(9-7-13)11-24-19(28)25-12-18(27)26-14(2)16-4-3-5-17(10-16)20(21,22)23/h3-10,14H,11-12H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyXUGFGWMIUDIJBE-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.69
Rot. Bonds6

About 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 24609966) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID24609966
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-13-6-8-15(9-7-13)11-24-19(28)25-12-18(27)26-14(2)16-4-3-5-17(10-16)20(21,22)23/h3-10,14H,11-12H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyXUGFGWMIUDIJBE-UHFFFAOYSA-N
XLogP3.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55599538
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120666705
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
1-[(2-methylpyrimidin-4-yl)methyl]-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 94651117

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 24609966) is 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is Cc1ccc(CNC(=O)NCC(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is XUGFGWMIUDIJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-13-6-8-15(9-7-13)11-24-19(28)25-12-18(27)26-14(2)16-4-3-5-17(10-16)20(21,22)23/h3-10,14H,11-12H2,1-2H3,(H,26,27)(H2,24,25,28).
What are the key properties of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 24609966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).