N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

C20H17BrN2O2 — CID 3588313

IUPACN-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCc1cc(Br)cc(C=NNC(=O)Cc2cccc3ccccc23)c1O
InChIInChI=1S/C20H17BrN2O2/c1-13-9-17(21)10-16(20(13)25)12-22-23-19(24)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,25H,11H2,1H3,(H,23,24)
InChIKeyOZWMQXAUHGRHFO-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.31
Rot. Bonds4

About N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 3588313) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID3588313
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCc1cc(Br)cc(C=NNC(=O)Cc2cccc3ccccc23)c1O
InChIInChI=1S/C20H17BrN2O2/c1-13-9-17(21)10-16(20(13)25)12-22-23-19(24)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,25H,11H2,1H3,(H,23,24)
InChIKeyOZWMQXAUHGRHFO-UHFFFAOYSA-N
XLogP4.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.31
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-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 136720663
N-[(5-bromo-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3630225
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135688686
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135420036
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
CID 3923797
N-[(Z)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 136664015
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 3588313) is N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is Cc1cc(Br)cc(C=NNC(=O)Cc2cccc3ccccc23)c1O.
What is the InChIKey of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is OZWMQXAUHGRHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-13-9-17(21)10-16(20(13)25)12-22-23-19(24)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,25H,11H2,1H3,(H,23,24).
What are the key properties of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 397.27 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3588313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).