N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide

C16H24FN3O3 — CID 166390651

IUPACN-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
SMILESCC(C)Nc1ccc(F)cc1NC(=O)CNC(=O)CCCCO
InChIInChI=1S/C16H24FN3O3/c1-11(2)19-13-7-6-12(17)9-14(13)20-16(23)10-18-15(22)5-3-4-8-21/h6-7,9,11,19,21H,3-5,8,10H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyGJKNVRJPCFARMM-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.86
Rot. Bonds9

About N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide

N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide (PubChem CID 166390651) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
PubChem CID166390651
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC NameN-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
SMILESCC(C)Nc1ccc(F)cc1NC(=O)CNC(=O)CCCCO
InChIInChI=1S/C16H24FN3O3/c1-11(2)19-13-7-6-12(17)9-14(13)20-16(23)10-18-15(22)5-3-4-8-21/h6-7,9,11,19,21H,3-5,8,10H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyGJKNVRJPCFARMM-UHFFFAOYSA-N
XLogP1.86
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide?
The IUPAC name of N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide (CID 166390651) is N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide?
The canonical SMILES for N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide is CC(C)Nc1ccc(F)cc1NC(=O)CNC(=O)CCCCO.
What is the InChIKey of N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide?
The InChIKey is GJKNVRJPCFARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-11(2)19-13-7-6-12(17)9-14(13)20-16(23)10-18-15(22)5-3-4-8-21/h6-7,9,11,19,21H,3-5,8,10H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide?
N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide has a molecular weight of 325.38 g/mol, XLogP of 1.86, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide is sourced from PubChem (CID 166390651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).