3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide

C19H20Cl2N2O4 — CID 18848461

IUPAC3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H20Cl2N2O4/c1-2-3-4-7-10-27-18-14(20)11-13(12-15(18)21)19(24)22-16-8-5-6-9-17(16)23(25)26/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,22,24)
InChIKeyCBEYMQOHQNHEKL-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.11
Rot. Bonds9

About 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide

3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide (PubChem CID 18848461) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide
PubChem CID18848461
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H20Cl2N2O4/c1-2-3-4-7-10-27-18-14(20)11-13(12-15(18)21)19(24)22-16-8-5-6-9-17(16)23(25)26/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,22,24)
InChIKeyCBEYMQOHQNHEKL-UHFFFAOYSA-N
XLogP6.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3,5-dichloro-4-heptoxy-N-(3-nitrophenyl)benzamide
CID 18848538
4-butoxy-3,5-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 18848350
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
2-chloro-N-(2-hexoxyphenyl)-5-nitrobenzamide
CID 130176588
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide (CID 18848461) is 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide is CCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide?
The InChIKey is CBEYMQOHQNHEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-2-3-4-7-10-27-18-14(20)11-13(12-15(18)21)19(24)22-16-8-5-6-9-17(16)23(25)26/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,22,24).
What are the key properties of 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide?
3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide has a molecular weight of 411.29 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hexoxy-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 18848461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).