2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide

C13H16F3N3O2 — CID 41468828

IUPAC2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N3O2/c1-7(2)5-17-13(21)18-6-10(20)19-9-4-3-8(14)11(15)12(9)16/h3-4,7H,5-6H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyUNSPYOPCIYZQKU-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide

2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 41468828) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID41468828
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N3O2/c1-7(2)5-17-13(21)18-6-10(20)19-9-4-3-8(14)11(15)12(9)16/h3-4,7H,5-6H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyUNSPYOPCIYZQKU-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
3-(2-methylpropylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109012916
2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 86916154
2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 60591570
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
2-(2-methylprop-2-enylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 7945322
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 46494014
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
4-amino-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide;hydrochloride
CID 120586978
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 49154304

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide (CID 41468828) is 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide is CC(C)CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is UNSPYOPCIYZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-7(2)5-17-13(21)18-6-10(20)19-9-4-3-8(14)11(15)12(9)16/h3-4,7H,5-6H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 303.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 41468828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).