2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide

C26H16Cl2N2O5 — CID 3358329

IUPAC2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C26H16Cl2N2O5/c27-17-6-10-19(11-7-17)35-20-12-8-18(9-13-20)29-26(32)22-4-2-1-3-21(22)25(31)16-5-14-23(28)24(15-16)30(33)34/h1-15H,(H,29,32)
InChIKeyQVZMIPNRGLNFAU-UHFFFAOYSA-N
MW507.33 g/mol
LogP7.18
Rot. Bonds7

About 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide

2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide (PubChem CID 3358329) has the molecular formula C26H16Cl2N2O5 and a molecular weight of 507.33 g/mol. Its IUPAC name is 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
PubChem CID3358329
Molecular FormulaC26H16Cl2N2O5
Molecular Weight507.33 g/mol
Exact Mass506.04
IUPAC Name2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C26H16Cl2N2O5/c27-17-6-10-19(11-7-17)35-20-12-8-18(9-13-20)29-26(32)22-4-2-1-3-21(22)25(31)16-5-14-23(28)24(15-16)30(33)34/h1-15H,(H,29,32)
InChIKeyQVZMIPNRGLNFAU-UHFFFAOYSA-N
XLogP7.18
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.33
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-chloro-3-nitrobenzoyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 5001332
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 18271698
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 2558490
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
4-chloro-3-nitro-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 5209056
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 4783520
5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
CID 118588339

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide?
The IUPAC name of 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide (CID 3358329) is 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide.
What is the SMILES notation for 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide?
The canonical SMILES for 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide?
The InChIKey is QVZMIPNRGLNFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N2O5/c27-17-6-10-19(11-7-17)35-20-12-8-18(9-13-20)29-26(32)22-4-2-1-3-21(22)25(31)16-5-14-23(28)24(15-16)30(33)34/h1-15H,(H,29,32).
What are the key properties of 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide?
2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide has a molecular weight of 507.33 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide is sourced from PubChem (CID 3358329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).