N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide

C15H14N2O2 — CID 136852017

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc(O)cc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-3-2-4-13(9-11)15(19)17-16-10-12-5-7-14(18)8-6-12/h2-10,18H,1H3,(H,17,19)/b16-10-
InChIKeyQCRJLLMLXQAHOE-YBEGLDIGSA-N
MW254.29 g/mol
LogP2.46
Rot. Bonds3

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide (PubChem CID 136852017) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
PubChem CID136852017
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc(O)cc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-3-2-4-13(9-11)15(19)17-16-10-12-5-7-14(18)8-6-12/h2-10,18H,1H3,(H,17,19)/b16-10-
InChIKeyQCRJLLMLXQAHOE-YBEGLDIGSA-N
XLogP2.46
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.46
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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
CID 71816319
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide (CID 136852017) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C\c2ccc(O)cc2)c1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The InChIKey is QCRJLLMLXQAHOE-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-3-2-4-13(9-11)15(19)17-16-10-12-5-7-14(18)8-6-12/h2-10,18H,1H3,(H,17,19)/b16-10-.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide has a molecular weight of 254.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 136852017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).