2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide

C9H9ClN2O4 — CID 2213152

IUPAC2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
SMILESO=C(NCCO)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H9ClN2O4/c10-8-2-1-6(12(15)16)5-7(8)9(14)11-3-4-13/h1-2,5,13H,3-4H2,(H,11,14)
InChIKeyJKHNEPAWOXAWGF-UHFFFAOYSA-N
MW244.63 g/mol
LogP0.97
Rot. Bonds4

About 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide

2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide (PubChem CID 2213152) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
PubChem CID2213152
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
SMILESO=C(NCCO)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H9ClN2O4/c10-8-2-1-6(12(15)16)5-7(8)9(14)11-3-4-13/h1-2,5,13H,3-4H2,(H,11,14)
InChIKeyJKHNEPAWOXAWGF-UHFFFAOYSA-N
XLogP0.97
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 50.97
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

2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-chloro-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175918
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
2-chloro-5-nitro-N-prop-2-enylbenzamide
CID 2390073
2-chloro-N-(6-hydroxyhexyl)-4-nitrobenzamide
CID 103919226
2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 35613298
2-chloro-5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115577625
N-[2-(4-aminophenyl)sulfanylethyl]-2-chloro-5-nitrobenzamide
CID 139950435
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-nitrobenzamide
CID 103082387
2-chloro-N-(2-hydroxyethyl)-3,5-dinitrobenzamide;ethane
CID 143639792
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide (CID 2213152) is 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide is O=C(NCCO)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide?
The InChIKey is JKHNEPAWOXAWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c10-8-2-1-6(12(15)16)5-7(8)9(14)11-3-4-13/h1-2,5,13H,3-4H2,(H,11,14).
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide?
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide has a molecular weight of 244.63 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide is sourced from PubChem (CID 2213152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).