4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide

C14H10Cl2N2O2 — CID 137058198

IUPAC4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-6-4-9(5-7-10)14(20)18-17-8-11-12(16)2-1-3-13(11)19/h1-8,19H,(H,18,20)/b17-8-
InChIKeySJWSIFHZECKMJP-IUXPMGMMSA-N
MW309.15 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137058198) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137058198
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-6-4-9(5-7-10)14(20)18-17-8-11-12(16)2-1-3-13(11)19/h1-8,19H,(H,18,20)/b17-8-
InChIKeySJWSIFHZECKMJP-IUXPMGMMSA-N
XLogP3.46
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.46
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'}

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Related Compounds

N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137058209
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide (CID 137058198) is 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1c(O)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is SJWSIFHZECKMJP-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-10-6-4-9(5-7-10)14(20)18-17-8-11-12(16)2-1-3-13(11)19/h1-8,19H,(H,18,20)/b17-8-.
What are the key properties of 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 309.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137058198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).