4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide

C20H12Cl2N4O6 — CID 3385281

IUPAC4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H12Cl2N4O6/c21-15-7-1-11(9-17(15)25(29)30)19(27)23-13-3-5-14(6-4-13)24-20(28)12-2-8-16(22)18(10-12)26(31)32/h1-10H,(H,23,27)(H,24,28)
InChIKeyRESFGVMOQGULTL-UHFFFAOYSA-N
MW475.24 g/mol
LogP5.31
Rot. Bonds6

About 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide

4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide (PubChem CID 3385281) has the molecular formula C20H12Cl2N4O6 and a molecular weight of 475.24 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
PubChem CID3385281
Molecular FormulaC20H12Cl2N4O6
Molecular Weight475.24 g/mol
Exact Mass474.01
IUPAC Name4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H12Cl2N4O6/c21-15-7-1-11(9-17(15)25(29)30)19(27)23-13-3-5-14(6-4-13)24-20(28)12-2-8-16(22)18(10-12)26(31)32/h1-10H,(H,23,27)(H,24,28)
InChIKeyRESFGVMOQGULTL-UHFFFAOYSA-N
XLogP5.31
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.24
LogP ≤ 55.31
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'}

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Related Compounds

4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
N-[4-(acetylcarbamothioylamino)phenyl]-4-chloro-3-nitrobenzamide
CID 5230072
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 1366188
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
4-chloro-N-[4-(2,2-dicyanoethenyl)phenyl]-3-nitrobenzamide
CID 1009779
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide (CID 3385281) is 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide is O=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide?
The InChIKey is RESFGVMOQGULTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O6/c21-15-7-1-11(9-17(15)25(29)30)19(27)23-13-3-5-14(6-4-13)24-20(28)12-2-8-16(22)18(10-12)26(31)32/h1-10H,(H,23,27)(H,24,28).
What are the key properties of 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide?
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide has a molecular weight of 475.24 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 3385281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).