2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide

C19H12Cl2N2O4 — CID 21372734

IUPAC2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H12Cl2N2O4/c20-12-6-9-18(27-14-4-2-1-3-5-14)17(10-12)22-19(24)15-11-13(23(25)26)7-8-16(15)21/h1-11H,(H,22,24)
InChIKeyMPVCJYANNLSSFW-UHFFFAOYSA-N
MW403.22 g/mol
LogP5.95
Rot. Bonds5

About 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide

2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide (PubChem CID 21372734) has the molecular formula C19H12Cl2N2O4 and a molecular weight of 403.22 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
PubChem CID21372734
Molecular FormulaC19H12Cl2N2O4
Molecular Weight403.22 g/mol
Exact Mass402.02
IUPAC Name2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H12Cl2N2O4/c20-12-6-9-18(27-14-4-2-1-3-5-14)17(10-12)22-19(24)15-11-13(23(25)26)7-8-16(15)21/h1-11H,(H,22,24)
InChIKeyMPVCJYANNLSSFW-UHFFFAOYSA-N
XLogP5.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.22
LogP ≤ 55.95
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

4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
CID 132822569
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 26267184
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide (CID 21372734) is 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide?
The InChIKey is MPVCJYANNLSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O4/c20-12-6-9-18(27-14-4-2-1-3-5-14)17(10-12)22-19(24)15-11-13(23(25)26)7-8-16(15)21/h1-11H,(H,22,24).
What are the key properties of 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide?
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide has a molecular weight of 403.22 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide is sourced from PubChem (CID 21372734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).