2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide

C14H21FN2O2 — CID 87721438

IUPAC2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide
SMILESCCCCC(Nc1ccc(C)c(F)c1C)C(=O)NO
InChIInChI=1S/C14H21FN2O2/c1-4-5-6-12(14(18)17-19)16-11-8-7-9(2)13(15)10(11)3/h7-8,12,16,19H,4-6H2,1-3H3,(H,17,18)
InChIKeyLRFFQXARPSOMDD-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.92
Rot. Bonds6

About 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide

2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide (PubChem CID 87721438) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide.

Molecular Properties

Compound Name2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide
PubChem CID87721438
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide
SMILESCCCCC(Nc1ccc(C)c(F)c1C)C(=O)NO
InChIInChI=1S/C14H21FN2O2/c1-4-5-6-12(14(18)17-19)16-11-8-7-9(2)13(15)10(11)3/h7-8,12,16,19H,4-6H2,1-3H3,(H,17,18)
InChIKeyLRFFQXARPSOMDD-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
2-(2,4-dimethylanilino)hexanoic acid
CID 103230729
(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
CID 88537074
N-hydroxy-2-(3-methoxyanilino)hexanamide
CID 87720866
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
benzyl N-[5-(4-fluoro-3,5-dimethylanilino)-6-(hydroxyamino)-6-oxohexyl]carbamate
CID 87720869
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
methyl 2-(4-chloro-2-fluoroanilino)hexanoate
CID 103247397
2-[2-(4-fluorophenyl)ethyl]-N-hydroxyhexanamide;methanol
CID 143744124
2-(2,3-difluoro-4-methylphenyl)hexanoic acid
CID 107514223
6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
CID 87721429
6-[[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
CID 87727892

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide?
The IUPAC name of 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide (CID 87721438) is 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide.
What is the SMILES notation for 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide?
The canonical SMILES for 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide is CCCCC(Nc1ccc(C)c(F)c1C)C(=O)NO.
What is the InChIKey of 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide?
The InChIKey is LRFFQXARPSOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-5-6-12(14(18)17-19)16-11-8-7-9(2)13(15)10(11)3/h7-8,12,16,19H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide?
2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide has a molecular weight of 268.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide is sourced from PubChem (CID 87721438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).