3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide

C15H11Cl3N2O4 — CID 2977495

IUPAC3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-2-24-14-11(17)5-8(6-12(14)18)15(21)19-13-4-3-9(20(22)23)7-10(13)16/h3-7H,2H2,1H3,(H,19,21)
InChIKeyQNAOEGOCNACRJL-UHFFFAOYSA-N
MW389.62 g/mol
LogP5.21
Rot. Bonds5

About 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide

3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide (PubChem CID 2977495) has the molecular formula C15H11Cl3N2O4 and a molecular weight of 389.62 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
PubChem CID2977495
Molecular FormulaC15H11Cl3N2O4
Molecular Weight389.62 g/mol
Exact Mass387.98
IUPAC Name3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-2-24-14-11(17)5-8(6-12(14)18)15(21)19-13-4-3-9(20(22)23)7-10(13)16/h3-7H,2H2,1H3,(H,19,21)
InChIKeyQNAOEGOCNACRJL-UHFFFAOYSA-N
XLogP5.21
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 55.21
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-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
4-butoxy-3,5-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 18848350
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 26576594
5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
CID 2221534
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 114325780
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide (CID 2977495) is 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide?
The InChIKey is QNAOEGOCNACRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O4/c1-2-24-14-11(17)5-8(6-12(14)18)15(21)19-13-4-3-9(20(22)23)7-10(13)16/h3-7H,2H2,1H3,(H,19,21).
What are the key properties of 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide?
3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide has a molecular weight of 389.62 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 2977495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).