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

C19H12Cl2N2O4 — CID 24676480

IUPAC4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H12Cl2N2O4/c20-12-7-9-18(27-14-4-2-1-3-5-14)16(10-12)22-19(24)15-8-6-13(21)11-17(15)23(25)26/h1-11H,(H,22,24)
InChIKeySRWUYNDWVLZCNA-UHFFFAOYSA-N
MW403.22 g/mol
LogP5.95
Rot. Bonds5

About 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide

4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide (PubChem CID 24676480) has the molecular formula C19H12Cl2N2O4 and a molecular weight of 403.22 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
PubChem CID24676480
Molecular FormulaC19H12Cl2N2O4
Molecular Weight403.22 g/mol
Exact Mass402.02
IUPAC Name4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H12Cl2N2O4/c20-12-7-9-18(27-14-4-2-1-3-5-14)16(10-12)22-19(24)15-8-6-13(21)11-17(15)23(25)26/h1-11H,(H,22,24)
InChIKeySRWUYNDWVLZCNA-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

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 26267184
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
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4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
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4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 17424735
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
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CID 35366721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide (CID 24676480) is 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide?
The InChIKey is SRWUYNDWVLZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O4/c20-12-7-9-18(27-14-4-2-1-3-5-14)16(10-12)22-19(24)15-8-6-13(21)11-17(15)23(25)26/h1-11H,(H,22,24).
What are the key properties of 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide?
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-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 4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 24676480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).