2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide

C15H12Cl3N3O2 — CID 136866501

IUPAC2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1Cl)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl3N3O2/c16-10-5-9(15(23)12(18)6-10)7-20-21-14(22)8-19-13-4-2-1-3-11(13)17/h1-7,19,23H,8H2,(H,21,22)/b20-7-
InChIKeyDOMRHRKYHCIPOZ-SCDVKCJHSA-N
MW372.64 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide

2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136866501) has the molecular formula C15H12Cl3N3O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136866501
Molecular FormulaC15H12Cl3N3O2
Molecular Weight372.64 g/mol
Exact Mass371.00
IUPAC Name2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1Cl)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl3N3O2/c16-10-5-9(15(23)12(18)6-10)7-20-21-14(22)8-19-13-4-2-1-3-11(13)17/h1-7,19,23H,8H2,(H,21,22)/b20-7-
InChIKeyDOMRHRKYHCIPOZ-SCDVKCJHSA-N
XLogP3.91
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136649492
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713
2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136896528
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6112463

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 136866501) is 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1ccccc1Cl)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is DOMRHRKYHCIPOZ-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H12Cl3N3O2/c16-10-5-9(15(23)12(18)6-10)7-20-21-14(22)8-19-13-4-2-1-3-11(13)17/h1-7,19,23H,8H2,(H,21,22)/b20-7-.
What are the key properties of 2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 372.64 g/mol, XLogP of 3.91, 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-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136866501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).