N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide

C15H13ClN2O2 — CID 136628097

IUPACN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-3-2-4-11(7-10)15(20)18-17-9-12-8-13(16)5-6-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyGHLZUYRJWANMKK-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.12
Rot. Bonds3

About N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide (PubChem CID 136628097) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
PubChem CID136628097
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-3-2-4-11(7-10)15(20)18-17-9-12-8-13(16)5-6-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyGHLZUYRJWANMKK-UHFFFAOYSA-N
XLogP3.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.12
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-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361726
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N-[4-[[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135560215
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide (CID 136628097) is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)NN=Cc2cc(Cl)ccc2O)c1.
What is the InChIKey of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The InChIKey is GHLZUYRJWANMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-3-2-4-11(7-10)15(20)18-17-9-12-8-13(16)5-6-14(12)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide has a molecular weight of 288.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 136628097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).