N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide

C16H14Cl2N2O5 — CID 26719659

IUPACN-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C16H14Cl2N2O5/c1-3-25-15-8-13(20(22)23)10(7-14(15)24-2)16(21)19-9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyZJSZARPIVVEHKP-UHFFFAOYSA-N
MW385.20 g/mol
LogP4.56
Rot. Bonds6

About N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide

N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide (PubChem CID 26719659) has the molecular formula C16H14Cl2N2O5 and a molecular weight of 385.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
PubChem CID26719659
Molecular FormulaC16H14Cl2N2O5
Molecular Weight385.20 g/mol
Exact Mass384.03
IUPAC NameN-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C16H14Cl2N2O5/c1-3-25-15-8-13(20(22)23)10(7-14(15)24-2)16(21)19-9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyZJSZARPIVVEHKP-UHFFFAOYSA-N
XLogP4.56
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.56
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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Related Compounds

N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55566481
5-ethoxy-4-methoxy-N-(3-methylsulfonylphenyl)-2-nitrobenzamide
CID 26975903
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31907819
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
CID 31920662
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide (CID 26719659) is N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
The InChIKey is ZJSZARPIVVEHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O5/c1-3-25-15-8-13(20(22)23)10(7-14(15)24-2)16(21)19-9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide has a molecular weight of 385.20 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 26719659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).