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

C9H8Cl2N2O2 — CID 137054749

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H8Cl2N2O2/c1-5(14)13-12-4-6-2-7(10)3-8(11)9(6)15/h2-4,15H,1H3,(H,13,14)/b12-4-
InChIKeyIQRDNQSSRYSOKW-QCDXTXTGSA-N
MW247.08 g/mol
LogP2.17
Rot. Bonds2

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

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137054749) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137054749
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H8Cl2N2O2/c1-5(14)13-12-4-6-2-7(10)3-8(11)9(6)15/h2-4,15H,1H3,(H,13,14)/b12-4-
InChIKeyIQRDNQSSRYSOKW-QCDXTXTGSA-N
XLogP2.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,5-Dichloro-2-hydroxyphenyl)ethylidene]-1-hydrazinecarboxamide
CID 135520619
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
4-[3-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]propyl]-1,4-dihydropyrazol-5-one
CID 2803665
2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
1-[(3,5-dichloro-2-hydroxybenzylidene)amino]-4,6-dimethyl-2(1H)-pyridinone
CID 135418698
1-tert-butyl-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
CID 135452580
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
N1-Ethyl-2-(3,5-dichloro-2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472962
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702
(3,5-Dichloro-2-hydroxy-benzylidene)-hydrazide
CID 135436441
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 135854177

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 137054749) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is CC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is IQRDNQSSRYSOKW-QCDXTXTGSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c1-5(14)13-12-4-6-2-7(10)3-8(11)9(6)15/h2-4,15H,1H3,(H,13,14)/b12-4-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 247.08 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137054749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).