N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide

C14H10Cl2N2O4 — CID 711547

IUPACN-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O4/c1-22-13-3-2-8(4-12(13)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
InChIKeyBDZYJQMEFCDSIR-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.16
Rot. Bonds4

About N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide

N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 711547) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide
PubChem CID711547
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC NameN-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O4/c1-22-13-3-2-8(4-12(13)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
InChIKeyBDZYJQMEFCDSIR-UHFFFAOYSA-N
XLogP4.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide (CID 711547) is N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is BDZYJQMEFCDSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c1-22-13-3-2-8(4-12(13)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19).
What are the key properties of N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 341.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 711547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).