N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide

C13H14F3N3O5 — CID 89413412

IUPACN-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O5/c1-17-10(20)9(11(21)18-23)19(2)12(22)7-3-5-8(6-4-7)24-13(14,15)16/h3-6,9,23H,1-2H3,(H,17,20)(H,18,21)
InChIKeyUFOBPRLGDHXMBG-UHFFFAOYSA-N
MW349.27 g/mol
LogP0.28
Rot. Bonds5

About N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide (PubChem CID 89413412) has the molecular formula C13H14F3N3O5 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
PubChem CID89413412
Molecular FormulaC13H14F3N3O5
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O5/c1-17-10(20)9(11(21)18-23)19(2)12(22)7-3-5-8(6-4-7)24-13(14,15)16/h3-6,9,23H,1-2H3,(H,17,20)(H,18,21)
InChIKeyUFOBPRLGDHXMBG-UHFFFAOYSA-N
XLogP0.28
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[[4-[4-(2-hydroxy-2-methylpropoxy)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413373
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89412940
N-hydroxy-N'-methyl-2-[methyl-[4-(3-phenylprop-2-ynoxy)benzoyl]amino]propanediamide
CID 89413379
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-2-[[4-(3-hydroxyprop-1-ynyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 130207847
N-hydroxy-2-[[4-(6-methoxy-3-pyridinyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89412972
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413336
2-[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413640
N-hydroxy-2-[[4-[2-(6-methoxy-3-pyridinyl)ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413478

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide (CID 89413412) is N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide?
The InChIKey is UFOBPRLGDHXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O5/c1-17-10(20)9(11(21)18-23)19(2)12(22)7-3-5-8(6-4-7)24-13(14,15)16/h3-6,9,23H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide has a molecular weight of 349.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide is sourced from PubChem (CID 89413412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).