2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide

C20H17BrN2O3 — CID 4035780

IUPAC2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
SMILESCc1cc(O)cc(O)c1C=NNC(=O)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C20H17BrN2O3/c1-12-8-14(24)10-19(25)17(12)11-22-23-20(26)9-13-6-7-18(21)16-5-3-2-4-15(13)16/h2-8,10-11,24-25H,9H2,1H3,(H,23,26)
InChIKeyKBTWNOVOBLZOAR-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide (PubChem CID 4035780) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
PubChem CID4035780
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
SMILESCc1cc(O)cc(O)c1C=NNC(=O)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C20H17BrN2O3/c1-12-8-14(24)10-19(25)17(12)11-22-23-20(26)9-13-6-7-18(21)16-5-3-2-4-15(13)16/h2-8,10-11,24-25H,9H2,1H3,(H,23,26)
InChIKeyKBTWNOVOBLZOAR-UHFFFAOYSA-N
XLogP4.01
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
CID 135578491
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136802210
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 136720663
2-(4-bromonaphthalen-1-yl)-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 5009478
2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135479558
2-(4-bromonaphthalen-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135420112
N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136794053
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5457924
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 136829443
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
CID 3923797
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide (CID 4035780) is 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide is Cc1cc(O)cc(O)c1C=NNC(=O)Cc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide?
The InChIKey is KBTWNOVOBLZOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-12-8-14(24)10-19(25)17(12)11-22-23-20(26)9-13-6-7-18(21)16-5-3-2-4-15(13)16/h2-8,10-11,24-25H,9H2,1H3,(H,23,26).
What are the key properties of 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide has a molecular weight of 413.27 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4035780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).