2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide

C20H14Cl2N2O4 — CID 158730651

IUPAC2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(O)c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C20H14Cl2N2O4/c21-16-7-3-1-5-13(16)19(25)15-11-12(24(27)28)9-10-18(15)23-20(26)14-6-2-4-8-17(14)22/h1-11,19,25H,(H,23,26)
InChIKeyILBDHIZMIYFSKA-UHFFFAOYSA-N
MW417.25 g/mol
LogP5.24
Rot. Bonds5

About 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide

2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide (PubChem CID 158730651) has the molecular formula C20H14Cl2N2O4 and a molecular weight of 417.25 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide
PubChem CID158730651
Molecular FormulaC20H14Cl2N2O4
Molecular Weight417.25 g/mol
Exact Mass416.03
IUPAC Name2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(O)c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C20H14Cl2N2O4/c21-16-7-3-1-5-13(16)19(25)15-11-12(24(27)28)9-10-18(15)23-20(26)14-6-2-4-8-17(14)22/h1-11,19,25H,(H,23,26)
InChIKeyILBDHIZMIYFSKA-UHFFFAOYSA-N
XLogP5.24
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.25
LogP ≤ 55.24
H-Bond Donors ≤ 52
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

2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2,4-dinitrobenzamide
CID 23769969
N-[2-[hydroxy-(4-nitrophenyl)methyl]phenyl]-2-methoxybenzamide
CID 71595967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide (CID 158730651) is 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1C(O)c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide?
The InChIKey is ILBDHIZMIYFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4/c21-16-7-3-1-5-13(16)19(25)15-11-12(24(27)28)9-10-18(15)23-20(26)14-6-2-4-8-17(14)22/h1-11,19,25H,(H,23,26).
What are the key properties of 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide?
2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide has a molecular weight of 417.25 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide is sourced from PubChem (CID 158730651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).