N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

C14H10Cl2N2O3 — CID 137095074

IUPACN-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1O)c1ccccc1O
InChIInChI=1S/C14H10Cl2N2O3/c15-10-6-5-8(13(20)12(10)16)7-17-18-14(21)9-3-1-2-4-11(9)19/h1-7,19-20H,(H,18,21)
InChIKeyKGKHOWBDSDURTI-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.17
Rot. Bonds3

About N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 137095074) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID137095074
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC NameN-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1O)c1ccccc1O
InChIInChI=1S/C14H10Cl2N2O3/c15-10-6-5-8(13(20)12(10)16)7-17-18-14(21)9-3-1-2-4-11(9)19/h1-7,19-20H,(H,18,21)
InChIKeyKGKHOWBDSDURTI-UHFFFAOYSA-N
XLogP3.17
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.17
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-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
CID 137093574
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
CID 50910310
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
CID 5386751
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide
CID 136502811
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 137095074) is N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1ccc(Cl)c(Cl)c1O)c1ccccc1O.
What is the InChIKey of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is KGKHOWBDSDURTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-10-6-5-8(13(20)12(10)16)7-17-18-14(21)9-3-1-2-4-11(9)19/h1-7,19-20H,(H,18,21).
What are the key properties of N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 325.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 137095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).