5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide

C26H16Cl2N4O7 — CID 4605334

IUPAC5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C26H16Cl2N4O7/c27-15-1-11-23(31(35)36)21(13-15)25(33)29-17-3-7-19(8-4-17)39-20-9-5-18(6-10-20)30-26(34)22-14-16(28)2-12-24(22)32(37)38/h1-14H,(H,29,33)(H,30,34)
InChIKeyGVBOYNQLUZNPFD-UHFFFAOYSA-N
MW567.34 g/mol
LogP7.11
Rot. Bonds8

About 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide

5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide (PubChem CID 4605334) has the molecular formula C26H16Cl2N4O7 and a molecular weight of 567.34 g/mol. Its IUPAC name is 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
PubChem CID4605334
Molecular FormulaC26H16Cl2N4O7
Molecular Weight567.34 g/mol
Exact Mass566.04
IUPAC Name5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C26H16Cl2N4O7/c27-15-1-11-23(31(35)36)21(13-15)25(33)29-17-3-7-19(8-4-17)39-20-9-5-18(6-10-20)30-26(34)22-14-16(28)2-12-24(22)32(37)38/h1-14H,(H,29,33)(H,30,34)
InChIKeyGVBOYNQLUZNPFD-UHFFFAOYSA-N
XLogP7.11
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.34
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
CID 118588339
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
methyl N-[4-[(5-chloro-2-nitrobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578817
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 1358921
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide (CID 4605334) is 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide is O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide?
The InChIKey is GVBOYNQLUZNPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N4O7/c27-15-1-11-23(31(35)36)21(13-15)25(33)29-17-3-7-19(8-4-17)39-20-9-5-18(6-10-20)30-26(34)22-14-16(28)2-12-24(22)32(37)38/h1-14H,(H,29,33)(H,30,34).
What are the key properties of 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide?
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide has a molecular weight of 567.34 g/mol, XLogP of 7.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide is sourced from PubChem (CID 4605334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).