2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide

C15H12Br2ClN3O2 — CID 136649492

IUPAC2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1Cl)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2ClN3O2/c16-10-5-9(6-11(17)15(10)23)7-20-21-14(22)8-19-13-4-2-1-3-12(13)18/h1-7,19,23H,8H2,(H,21,22)
InChIKeyWNIAFWYNNVGWQB-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide

2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136649492) has the molecular formula C15H12Br2ClN3O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136649492
Molecular FormulaC15H12Br2ClN3O2
Molecular Weight461.54 g/mol
Exact Mass458.90
IUPAC Name2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1Cl)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2ClN3O2/c16-10-5-9(6-11(17)15(10)23)7-20-21-14(22)8-19-13-4-2-1-3-12(13)18/h1-7,19,23H,8H2,(H,21,22)
InChIKeyWNIAFWYNNVGWQB-UHFFFAOYSA-N
XLogP4.13
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135923685
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
CID 967968
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethyl)anilino]acetamide
CID 136628053
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 3675951
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide (CID 136649492) is 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1ccccc1Cl)NN=Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WNIAFWYNNVGWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClN3O2/c16-10-5-9(6-11(17)15(10)23)7-20-21-14(22)8-19-13-4-2-1-3-12(13)18/h1-7,19,23H,8H2,(H,21,22).
What are the key properties of 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide?
2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 461.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136649492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).