N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide

C19H13Br2N3O4 — CID 3923797

IUPACN-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc(Br)c2ccccc12)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O
InChIInChI=1S/C19H13Br2N3O4/c20-13-7-12(19(26)17(9-13)24(27)28)10-22-23-18(25)8-11-5-6-16(21)15-4-2-1-3-14(11)15/h1-7,9-10,26H,8H2,(H,23,25)
InChIKeyWRSMSWBCGBCQRQ-UHFFFAOYSA-N
MW507.14 g/mol
LogP4.67
Rot. Bonds5

About N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide

N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide (PubChem CID 3923797) has the molecular formula C19H13Br2N3O4 and a molecular weight of 507.14 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
PubChem CID3923797
Molecular FormulaC19H13Br2N3O4
Molecular Weight507.14 g/mol
Exact Mass504.93
IUPAC NameN-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc(Br)c2ccccc12)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O
InChIInChI=1S/C19H13Br2N3O4/c20-13-7-12(19(26)17(9-13)24(27)28)10-22-23-18(25)8-11-5-6-16(21)15-4-2-1-3-14(11)15/h1-7,9-10,26H,8H2,(H,23,25)
InChIKeyWRSMSWBCGBCQRQ-UHFFFAOYSA-N
XLogP4.67
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.14
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 136844889
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,5-dimethylphenyl)acetamide
CID 137180751
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136800675
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135579099
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 136720663
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135684219

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide (CID 3923797) is N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide is O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide?
The InChIKey is WRSMSWBCGBCQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2N3O4/c20-13-7-12(19(26)17(9-13)24(27)28)10-22-23-18(25)8-11-5-6-16(21)15-4-2-1-3-14(11)15/h1-7,9-10,26H,8H2,(H,23,25).
What are the key properties of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide?
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide has a molecular weight of 507.14 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide is sourced from PubChem (CID 3923797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).