(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone

C13H7Cl4NO2 — CID 141384323

IUPAC(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone
SMILESNc1ccccc1C(=O)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO2/c14-8-7(13(20)11(17)10(16)9(8)15)12(19)5-3-1-2-4-6(5)18/h1-4,20H,18H2
InChIKeyPDHNBUJSWUKVCQ-UHFFFAOYSA-N
MW351.02 g/mol
LogP4.82
Rot. Bonds2

About (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone

(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone (PubChem CID 141384323) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone
PubChem CID141384323
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone
SMILESNc1ccccc1C(=O)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO2/c14-8-7(13(20)11(17)10(16)9(8)15)12(19)5-3-1-2-4-6(5)18/h1-4,20H,18H2
InChIKeyPDHNBUJSWUKVCQ-UHFFFAOYSA-N
XLogP4.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.02
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 6919456
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2-aminobenzoate
CID 5459842
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
bis(2-aminobenzamide);platinum(2+)
CID 50912239
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;2-aminophenol
CID 23062986
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone (CID 141384323) is (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone is Nc1ccccc1C(=O)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone?
The InChIKey is PDHNBUJSWUKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-8-7(13(20)11(17)10(16)9(8)15)12(19)5-3-1-2-4-6(5)18/h1-4,20H,18H2.
What are the key properties of (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone?
(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone has a molecular weight of 351.02 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 141384323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).