5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide

C19H19Cl2N3O5 — CID 71527591

IUPAC5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCN1CCOCC1
InChIInChI=1S/C19H19Cl2N3O5/c20-13-1-4-18(29-10-7-23-5-8-28-9-6-23)15(11-13)19(25)22-17-3-2-14(24(26)27)12-16(17)21/h1-4,11-12H,5-10H2,(H,22,25)
InChIKeyCXEIYLWLMNAHNO-UHFFFAOYSA-N
MW440.28 g/mol
LogP3.86
Rot. Bonds7

About 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide

5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 71527591) has the molecular formula C19H19Cl2N3O5 and a molecular weight of 440.28 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide
PubChem CID71527591
Molecular FormulaC19H19Cl2N3O5
Molecular Weight440.28 g/mol
Exact Mass439.07
IUPAC Name5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCN1CCOCC1
InChIInChI=1S/C19H19Cl2N3O5/c20-13-1-4-18(29-10-7-23-5-8-28-9-6-23)15(11-13)19(25)22-17-3-2-14(24(26)27)12-16(17)21/h1-4,11-12H,5-10H2,(H,22,25)
InChIKeyCXEIYLWLMNAHNO-UHFFFAOYSA-N
XLogP3.86
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide
CID 118583135
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] prop-2-enoate
CID 14126819
2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-methylphenyl)benzamide;5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-morpholin-4-ylethoxy)benzamide;tetrakis(5-chloro-N-(2-chloro-4-methylphenyl)-2-piperidin-4-yloxybenzamide)
CID 158264393
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 4-nitrobenzoate
CID 3976905
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 4-piperidin-1-ylpiperidine-1-carboxylate
CID 130230135
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
[2-(2-morpholin-4-ylethoxy)-4-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 86098568
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 2-amino-3-methylbutanoate
CID 178041049
1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
CID 116541854
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide (CID 71527591) is 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCN1CCOCC1.
What is the InChIKey of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is CXEIYLWLMNAHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O5/c20-13-1-4-18(29-10-7-23-5-8-28-9-6-23)15(11-13)19(25)22-17-3-2-14(24(26)27)12-16(17)21/h1-4,11-12H,5-10H2,(H,22,25).
What are the key properties of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide?
5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 440.28 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 71527591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).