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

C27H18Cl2N4O6 — CID 5192048

IUPAC2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C27H18Cl2N4O6/c28-24-14-20(32(36)37)9-11-22(24)26(34)30-18-5-1-16(2-6-18)13-17-3-7-19(8-4-17)31-27(35)23-12-10-21(33(38)39)15-25(23)29/h1-12,14-15H,13H2,(H,30,34)(H,31,35)
InChIKeyLZWKVZUCNBOXSC-UHFFFAOYSA-N
MW565.37 g/mol
LogP6.91
Rot. Bonds8

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

2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide (PubChem CID 5192048) has the molecular formula C27H18Cl2N4O6 and a molecular weight of 565.37 g/mol. Its IUPAC name is 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
PubChem CID5192048
Molecular FormulaC27H18Cl2N4O6
Molecular Weight565.37 g/mol
Exact Mass564.06
IUPAC Name2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C27H18Cl2N4O6/c28-24-14-20(32(36)37)9-11-22(24)26(34)30-18-5-1-16(2-6-18)13-17-3-7-19(8-4-17)31-27(35)23-12-10-21(33(38)39)15-25(23)29/h1-12,14-15H,13H2,(H,30,34)(H,31,35)
InChIKeyLZWKVZUCNBOXSC-UHFFFAOYSA-N
XLogP6.91
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.37
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide 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

N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-chloro-4-nitrobenzamide
CID 1306199
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-chloro-4-nitrobenzamide
CID 17163184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide (CID 5192048) is 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide is O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide?
The InChIKey is LZWKVZUCNBOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N4O6/c28-24-14-20(32(36)37)9-11-22(24)26(34)30-18-5-1-16(2-6-18)13-17-3-7-19(8-4-17)31-27(35)23-12-10-21(33(38)39)15-25(23)29/h1-12,14-15H,13H2,(H,30,34)(H,31,35).
What are the key properties of 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide?
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide has a molecular weight of 565.37 g/mol, XLogP of 6.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 5192048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).