2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide

C21H15Cl2N3O5 — CID 1363068

IUPAC2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H15Cl2N3O5/c22-13-8-9-16(17(23)10-13)21(28)25-15-5-3-4-14(11-15)24-20(27)12-31-19-7-2-1-6-18(19)26(29)30/h1-11H,12H2,(H,24,27)(H,25,28)
InChIKeyFEHYYJNYWYQGGE-UHFFFAOYSA-N
MW460.27 g/mol
LogP5.17
Rot. Bonds7

About 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide

2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1363068) has the molecular formula C21H15Cl2N3O5 and a molecular weight of 460.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1363068
Molecular FormulaC21H15Cl2N3O5
Molecular Weight460.27 g/mol
Exact Mass459.04
IUPAC Name2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H15Cl2N3O5/c22-13-8-9-16(17(23)10-13)21(28)25-15-5-3-4-14(11-15)24-20(27)12-31-19-7-2-1-6-18(19)26(29)30/h1-11H,12H2,(H,24,27)(H,25,28)
InChIKeyFEHYYJNYWYQGGE-UHFFFAOYSA-N
XLogP5.17
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.27
LogP ≤ 55.17
H-Bond Donors ≤ 52
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 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide (CID 1363068) is 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is FEHYYJNYWYQGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O5/c22-13-8-9-16(17(23)10-13)21(28)25-15-5-3-4-14(11-15)24-20(27)12-31-19-7-2-1-6-18(19)26(29)30/h1-11H,12H2,(H,24,27)(H,25,28).
What are the key properties of 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide?
2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 460.27 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1363068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).