2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide

C16H15ClN2O2 — CID 4002314

IUPAC2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C=NNC(=O)c2ccccc2Cl)cc(C)c1O
InChIInChI=1S/C16H15ClN2O2/c1-10-7-12(8-11(2)15(10)20)9-18-19-16(21)13-5-3-4-6-14(13)17/h3-9,20H,1-2H3,(H,19,21)
InChIKeyLFFMHVAOGGVRLV-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide

2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide (PubChem CID 4002314) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
PubChem CID4002314
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C=NNC(=O)c2ccccc2Cl)cc(C)c1O
InChIInChI=1S/C16H15ClN2O2/c1-10-7-12(8-11(2)15(10)20)9-18-19-16(21)13-5-3-4-6-14(13)17/h3-9,20H,1-2H3,(H,19,21)
InChIKeyLFFMHVAOGGVRLV-UHFFFAOYSA-N
XLogP3.43
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137170826
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
2-chloro-N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide
CID 2249500
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide (CID 4002314) is 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide is Cc1cc(C=NNC(=O)c2ccccc2Cl)cc(C)c1O.
What is the InChIKey of 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The InChIKey is LFFMHVAOGGVRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-7-12(8-11(2)15(10)20)9-18-19-16(21)13-5-3-4-6-14(13)17/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4002314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).