4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide

C23H20ClN3O7 — CID 55566996

IUPAC4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1
InChIInChI=1S/C23H20ClN3O7/c1-32-13-22(28)25-16-4-3-5-17(12-16)26-23(29)14-6-8-20(21(10-14)33-2)34-19-9-7-15(24)11-18(19)27(30)31/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyTUAYOLVYTKPXHW-UHFFFAOYSA-N
MW485.88 g/mol
LogP4.89
Rot. Bonds9

About 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide

4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide (PubChem CID 55566996) has the molecular formula C23H20ClN3O7 and a molecular weight of 485.88 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
PubChem CID55566996
Molecular FormulaC23H20ClN3O7
Molecular Weight485.88 g/mol
Exact Mass485.10
IUPAC Name4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1
InChIInChI=1S/C23H20ClN3O7/c1-32-13-22(28)25-16-4-3-5-17(12-16)26-23(29)14-6-8-20(21(10-14)33-2)34-19-9-7-15(24)11-18(19)27(30)31/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyTUAYOLVYTKPXHW-UHFFFAOYSA-N
XLogP4.89
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.88
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
CID 26696729
4-(4-chloro-2-nitrophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybenzamide
CID 18227092
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 26085838
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
[2-(carbamoylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate
CID 2575768
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55474791
N-(1-amino-2-methylpropan-2-yl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide
CID 119524853
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-pentan-2-ylbenzamide
CID 42977352

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide (CID 55566996) is 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide is COCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1.
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
The InChIKey is TUAYOLVYTKPXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O7/c1-32-13-22(28)25-16-4-3-5-17(12-16)26-23(29)14-6-8-20(21(10-14)33-2)34-19-9-7-15(24)11-18(19)27(30)31/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide has a molecular weight of 485.88 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 55566996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).