5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide

C15H13ClN2O5 — CID 52618493

IUPAC5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O5/c16-10-4-5-14(13(8-10)15(17)19)23-7-6-22-12-3-1-2-11(9-12)18(20)21/h1-5,8-9H,6-7H2,(H2,17,19)
InChIKeyNWQXFWSIBJLYHB-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.80
Rot. Bonds7

About 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide

5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide (PubChem CID 52618493) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide
PubChem CID52618493
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O5/c16-10-4-5-14(13(8-10)15(17)19)23-7-6-22-12-3-1-2-11(9-12)18(20)21/h1-5,8-9H,6-7H2,(H2,17,19)
InChIKeyNWQXFWSIBJLYHB-UHFFFAOYSA-N
XLogP2.80
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-chloro-4-nitro-1-[2-(3-nitrophenoxy)ethoxy]benzene
CID 52617910
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
4-[2-(3-nitrophenoxy)ethoxy]benzoic acid
CID 20991529
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
4-(3-nitrophenoxy)butan-2-one
CID 60693072
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 7891622
5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide
CID 32706977
2-(2-fluoro-5-nitrophenoxy)ethyl carbamate
CID 175384908
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
CID 91681710

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide (CID 52618493) is 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCCOc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide?
The InChIKey is NWQXFWSIBJLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c16-10-4-5-14(13(8-10)15(17)19)23-7-6-22-12-3-1-2-11(9-12)18(20)21/h1-5,8-9H,6-7H2,(H2,17,19).
What are the key properties of 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide?
5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide has a molecular weight of 336.73 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide is sourced from PubChem (CID 52618493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).