2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

C17H17FN4O4 — CID 89413336

IUPAC2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C17H17FN4O4/c1-19-15(23)14(16(24)21-26)22(2)17(25)11-5-3-10(4-6-11)12-7-8-20-9-13(12)18/h3-9,14,26H,1-2H3,(H,19,23)(H,21,24)
InChIKeyBJGKYPMHYNCOGT-UHFFFAOYSA-N
MW360.35 g/mol
LogP0.58
Rot. Bonds5

About 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 89413336) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
PubChem CID89413336
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C17H17FN4O4/c1-19-15(23)14(16(24)21-26)22(2)17(25)11-5-3-10(4-6-11)12-7-8-20-9-13(12)18/h3-9,14,26H,1-2H3,(H,19,23)(H,21,24)
InChIKeyBJGKYPMHYNCOGT-UHFFFAOYSA-N
XLogP0.58
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.58
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-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89412940
N-hydroxy-2-[[4-(6-methoxy-3-pyridinyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89412972
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
N-hydroxy-2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413245
N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
CID 89413587
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
CID 89413412
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-2-[[4-[4-(2-hydroxy-2-methylpropoxy)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413373

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (CID 89413336) is 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccncc2F)cc1.
What is the InChIKey of 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is BJGKYPMHYNCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-19-15(23)14(16(24)21-26)22(2)17(25)11-5-3-10(4-6-11)12-7-8-20-9-13(12)18/h3-9,14,26H,1-2H3,(H,19,23)(H,21,24).
What are the key properties of 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide has a molecular weight of 360.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 89413336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).