3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide

C15H12Cl2N2O4 — CID 2934653

IUPAC3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-2-23-14-12(16)7-9(8-13(14)17)15(20)18-10-3-5-11(6-4-10)19(21)22/h3-8H,2H2,1H3,(H,18,20)
InChIKeyCAEAAHFMVGJFAA-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.55
Rot. Bonds5

About 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide

3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide (PubChem CID 2934653) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
PubChem CID2934653
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-2-23-14-12(16)7-9(8-13(14)17)15(20)18-10-3-5-11(6-4-10)19(21)22/h3-8H,2H2,1H3,(H,18,20)
InChIKeyCAEAAHFMVGJFAA-UHFFFAOYSA-N
XLogP4.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.55
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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Related Compounds

3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
CID 2977495
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
3,4,5-triethoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
CID 2899794
3,5-dichloro-4-heptoxy-N-(3-nitrophenyl)benzamide
CID 18848538
3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7309263
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
4-butoxy-3,5-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 18848350

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide (CID 2934653) is 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide?
The InChIKey is CAEAAHFMVGJFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-2-23-14-12(16)7-9(8-13(14)17)15(20)18-10-3-5-11(6-4-10)19(21)22/h3-8H,2H2,1H3,(H,18,20).
What are the key properties of 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide?
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide has a molecular weight of 355.18 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 2934653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).