N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide

C11H13ClN2O4 — CID 79200154

IUPACN-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-7(15)2-5-11(16)13-10-4-3-8(14(17)18)6-9(10)12/h3-4,6-7,15H,2,5H2,1H3,(H,13,16)
InChIKeyBXIGEVITEPHJSJ-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.35
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide

N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide (PubChem CID 79200154) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
PubChem CID79200154
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-7(15)2-5-11(16)13-10-4-3-8(14(17)18)6-9(10)12/h3-4,6-7,15H,2,5H2,1H3,(H,13,16)
InChIKeyBXIGEVITEPHJSJ-UHFFFAOYSA-N
XLogP2.35
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8898627
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide (CID 79200154) is N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide is CC(O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide?
The InChIKey is BXIGEVITEPHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-7(15)2-5-11(16)13-10-4-3-8(14(17)18)6-9(10)12/h3-4,6-7,15H,2,5H2,1H3,(H,13,16).
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide?
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide has a molecular weight of 272.69 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide is sourced from PubChem (CID 79200154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).