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

C10H11ClN2O4 — CID 79200065

IUPACN-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-8-6-7(13(16)17)3-4-9(8)12-10(15)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,15)
InChIKeySLFYCLMXDPIETB-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.96
Rot. Bonds5

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

N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide (PubChem CID 79200065) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
PubChem CID79200065
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-8-6-7(13(16)17)3-4-9(8)12-10(15)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,15)
InChIKeySLFYCLMXDPIETB-UHFFFAOYSA-N
XLogP1.96
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.96
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-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
2-hydroxyethyl N-(2-chloro-4-nitrophenyl)carbamate
CID 79345171
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
[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-hydroxybutanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide (CID 79200065) is N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide is O=C(CCCO)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide?
The InChIKey is SLFYCLMXDPIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c11-8-6-7(13(16)17)3-4-9(8)12-10(15)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,15).
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide?
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide has a molecular weight of 258.66 g/mol, XLogP of 1.96, 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-hydroxybutanamide is sourced from PubChem (CID 79200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).