5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide

C19H10Cl4N2O4 — CID 118588339

IUPAC5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H10Cl4N2O4/c20-10-1-3-12(4-2-10)29-13-5-6-17(25(27)28)14(9-13)19(26)24-11-7-15(21)18(23)16(22)8-11/h1-9H,(H,24,26)
InChIKeyIYVZZSMKXCNKGD-UHFFFAOYSA-N
MW472.11 g/mol
LogP7.25
Rot. Bonds5

About 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide

5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide (PubChem CID 118588339) has the molecular formula C19H10Cl4N2O4 and a molecular weight of 472.11 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
PubChem CID118588339
Molecular FormulaC19H10Cl4N2O4
Molecular Weight472.11 g/mol
Exact Mass469.94
IUPAC Name5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H10Cl4N2O4/c20-10-1-3-12(4-2-10)29-13-5-6-17(25(27)28)14(9-13)19(26)24-11-7-15(21)18(23)16(22)8-11/h1-9H,(H,24,26)
InChIKeyIYVZZSMKXCNKGD-UHFFFAOYSA-N
XLogP7.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.11
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
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
2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
CID 3358329
dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 1358921
5-morpholin-4-yl-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
CID 118893174
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
5-(4-chloro-3-fluorophenoxy)-2-nitrobenzoic acid
CID 82717911

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide?
The IUPAC name of 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide (CID 118588339) is 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide?
The InChIKey is IYVZZSMKXCNKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4N2O4/c20-10-1-3-12(4-2-10)29-13-5-6-17(25(27)28)14(9-13)19(26)24-11-7-15(21)18(23)16(22)8-11/h1-9H,(H,24,26).
What are the key properties of 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide?
5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide has a molecular weight of 472.11 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-2-nitro-N-(3,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 118588339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).