2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

C20H17BrN2O2 — CID 136720663

IUPAC2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)Cc2ccc(Br)c3ccccc23)c1O
InChIInChI=1S/C20H17BrN2O2/c1-13-5-4-6-15(20(13)25)12-22-23-19(24)11-14-9-10-18(21)17-8-3-2-7-16(14)17/h2-10,12,25H,11H2,1H3,(H,23,24)/b22-12-
InChIKeyRXAWUOWMFCFFAG-UUYOSTAYSA-N
MW397.27 g/mol
LogP4.31
Rot. Bonds4

About 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (PubChem CID 136720663) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
PubChem CID136720663
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)Cc2ccc(Br)c3ccccc23)c1O
InChIInChI=1S/C20H17BrN2O2/c1-13-5-4-6-15(20(13)25)12-22-23-19(24)11-14-9-10-18(21)17-8-3-2-7-16(14)17/h2-10,12,25H,11H2,1H3,(H,23,24)/b22-12-
InChIKeyRXAWUOWMFCFFAG-UUYOSTAYSA-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

2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
CID 4035780
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
2-(4-bromonaphthalen-1-yl)-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 5009478
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136802210
2-[2-[(E)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5344196
2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135479558
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
CID 3923797
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5457924
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135716591
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 136829443

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (CID 136720663) is 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is Cc1cccc(/C=N\NC(=O)Cc2ccc(Br)c3ccccc23)c1O.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The InChIKey is RXAWUOWMFCFFAG-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-13-5-4-6-15(20(13)25)12-22-23-19(24)11-14-9-10-18(21)17-8-3-2-7-16(14)17/h2-10,12,25H,11H2,1H3,(H,23,24)/b22-12-.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide 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 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136720663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).