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

C20H17Br2N3O — CID 71066400

IUPACN-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESCc1c(Br)cc(/C=N\NC(=O)CNc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C20H17Br2N3O/c1-13-18(21)8-14(9-19(13)22)11-24-25-20(26)12-23-17-7-6-15-4-2-3-5-16(15)10-17/h2-11,23H,12H2,1H3,(H,25,26)/b24-11-
InChIKeyQGVUYLOXYUQJID-MYKKPKGFSA-N
MW475.18 g/mol
LogP5.24
Rot. Bonds5

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

N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 71066400) has the molecular formula C20H17Br2N3O and a molecular weight of 475.18 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID71066400
Molecular FormulaC20H17Br2N3O
Molecular Weight475.18 g/mol
Exact Mass472.97
IUPAC NameN-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESCc1c(Br)cc(/C=N\NC(=O)CNc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C20H17Br2N3O/c1-13-18(21)8-14(9-19(13)22)11-24-25-20(26)12-23-17-7-6-15-4-2-3-5-16(15)10-17/h2-11,23H,12H2,1H3,(H,25,26)/b24-11-
InChIKeyQGVUYLOXYUQJID-MYKKPKGFSA-N
XLogP5.24
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.18
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
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
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4991681
[2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6286095
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 71066400) is N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is Cc1c(Br)cc(/C=N\NC(=O)CNc2ccc3ccccc3c2)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is QGVUYLOXYUQJID-MYKKPKGFSA-N. The full InChI is InChI=1S/C20H17Br2N3O/c1-13-18(21)8-14(9-19(13)22)11-24-25-20(26)12-23-17-7-6-15-4-2-3-5-16(15)10-17/h2-11,23H,12H2,1H3,(H,25,26)/b24-11-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 475.18 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 71066400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).