N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

C19H15Br2N3O2 — CID 1268496

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C19H15Br2N3O2/c20-16-7-12(8-17(21)19(16)26)10-23-24-18(25)11-22-15-6-5-13-3-1-2-4-14(13)9-15/h1-10,22,26H,11H2,(H,24,25)
InChIKeyTWBBVWTWXXMCIJ-UHFFFAOYSA-N
MW477.16 g/mol
LogP4.63
Rot. Bonds5

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 1268496) has the molecular formula C19H15Br2N3O2 and a molecular weight of 477.16 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID1268496
Molecular FormulaC19H15Br2N3O2
Molecular Weight477.16 g/mol
Exact Mass474.95
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C19H15Br2N3O2/c20-16-7-12(8-17(21)19(16)26)10-23-24-18(25)11-22-15-6-5-13-3-1-2-4-14(13)9-15/h1-10,22,26H,11H2,(H,24,25)
InChIKeyTWBBVWTWXXMCIJ-UHFFFAOYSA-N
XLogP4.63
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.16
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethyl)anilino]acetamide
CID 136628053
2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136649492
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide
CID 136653431
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135923685
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 1268496) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is TWBBVWTWXXMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2N3O2/c20-16-7-12(8-17(21)19(16)26)10-23-24-18(25)11-22-15-6-5-13-3-1-2-4-14(13)9-15/h1-10,22,26H,11H2,(H,24,25).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 477.16 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 1268496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).