N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

C13H14F4N2O3 — CID 2544330

IUPACN-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H14F4N2O3/c1-6(2)4-18-13(21)19-9(20)5-22-12-10(16)7(14)3-8(15)11(12)17/h3,6H,4-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyJGFASDSGKBMRCN-UHFFFAOYSA-N
MW322.26 g/mol
LogP2.10
Rot. Bonds5

About N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 2544330) has the molecular formula C13H14F4N2O3 and a molecular weight of 322.26 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID2544330
Molecular FormulaC13H14F4N2O3
Molecular Weight322.26 g/mol
Exact Mass322.09
IUPAC NameN-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H14F4N2O3/c1-6(2)4-18-13(21)19-9(20)5-22-12-10(16)7(14)3-8(15)11(12)17/h3,6H,4-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyJGFASDSGKBMRCN-UHFFFAOYSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544310
2-(2-fluorophenoxy)-N-(methylcarbamoyl)propanamide
CID 4690424
N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544256
N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544321
N-(propylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544332
N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-(2-fluorophenoxy)acetamide
CID 5742499
[2-(Ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 3000196
N-(cyclopentylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544312
N-(2-methylpropyl)-2-phenoxyacetamide
CID 879323
Urea, (2-(2,6-difluorophenoxy)ethyl)-
CID 208992
2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
CID 50946647
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 2544330) is N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is CC(C)CNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is JGFASDSGKBMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O3/c1-6(2)4-18-13(21)19-9(20)5-22-12-10(16)7(14)3-8(15)11(12)17/h3,6H,4-5H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 322.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 2544330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).