3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide

C20H15ClN2O5 — CID 1313380

IUPAC3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)cc1
InChIInChI=1S/C20H15ClN2O5/c1-27-16-8-5-14(6-9-16)22-20(24)13-3-2-4-17(11-13)28-19-10-7-15(23(25)26)12-18(19)21/h2-12H,1H3,(H,22,24)
InChIKeyUIYRVVZHZVHONZ-UHFFFAOYSA-N
MW398.80 g/mol
LogP5.30
Rot. Bonds6

About 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide

3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide (PubChem CID 1313380) has the molecular formula C20H15ClN2O5 and a molecular weight of 398.80 g/mol. Its IUPAC name is 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide
PubChem CID1313380
Molecular FormulaC20H15ClN2O5
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC Name3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)cc1
InChIInChI=1S/C20H15ClN2O5/c1-27-16-8-5-14(6-9-16)22-20(24)13-3-2-4-17(11-13)28-19-10-7-15(23(25)26)12-18(19)21/h2-12H,1H3,(H,22,24)
InChIKeyUIYRVVZHZVHONZ-UHFFFAOYSA-N
XLogP5.30
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.80
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide (CID 1313380) is 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)cc1.
What is the InChIKey of 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide?
The InChIKey is UIYRVVZHZVHONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5/c1-27-16-8-5-14(6-9-16)22-20(24)13-3-2-4-17(11-13)28-19-10-7-15(23(25)26)12-18(19)21/h2-12H,1H3,(H,22,24).
What are the key properties of 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide?
3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide has a molecular weight of 398.80 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1313380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).