N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide

C11H13FN2O4 — CID 79198639

IUPACN-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13FN2O4/c12-9-5-4-8(7-10(9)14(17)18)13-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,13,16)
InChIKeyPZKVAUYCFKMMJJ-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.84
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide

N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide (PubChem CID 79198639) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
PubChem CID79198639
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13FN2O4/c12-9-5-4-8(7-10(9)14(17)18)13-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,13,16)
InChIKeyPZKVAUYCFKMMJJ-UHFFFAOYSA-N
XLogP1.84
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
CID 82865508
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide (CID 79198639) is N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide is O=C(CCCCO)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide?
The InChIKey is PZKVAUYCFKMMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-9-5-4-8(7-10(9)14(17)18)13-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,13,16).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide?
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide has a molecular weight of 256.23 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79198639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).