2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide

C15H11Cl2N3O5 — CID 11717932

IUPAC2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O5/c1-25-13-5-3-9(20(23)24)7-12(13)18-15(22)19-14(21)10-4-2-8(16)6-11(10)17/h2-7H,1H3,(H2,18,19,21,22)
InChIKeyPCUIJRGTGPLOIY-UHFFFAOYSA-N
MW384.18 g/mol
LogP3.87
Rot. Bonds4

About 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide

2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide (PubChem CID 11717932) has the molecular formula C15H11Cl2N3O5 and a molecular weight of 384.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide
PubChem CID11717932
Molecular FormulaC15H11Cl2N3O5
Molecular Weight384.18 g/mol
Exact Mass383.01
IUPAC Name2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O5/c1-25-13-5-3-9(20(23)24)7-12(13)18-15(22)19-14(21)10-4-2-8(16)6-11(10)17/h2-7H,1H3,(H2,18,19,21,22)
InChIKeyPCUIJRGTGPLOIY-UHFFFAOYSA-N
XLogP3.87
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 53.87
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-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide (CID 11717932) is 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide?
The InChIKey is PCUIJRGTGPLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O5/c1-25-13-5-3-9(20(23)24)7-12(13)18-15(22)19-14(21)10-4-2-8(16)6-11(10)17/h2-7H,1H3,(H2,18,19,21,22).
What are the key properties of 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide?
2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide has a molecular weight of 384.18 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-methoxy-5-nitrophenyl)carbamoyl]benzamide is sourced from PubChem (CID 11717932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).