N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide

C15H12Br3N3O2 — CID 135420016

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
SMILESO=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1ccccc1O
InChIInChI=1S/C15H12Br3N3O2/c16-10-5-12(18)13(6-11(10)17)19-8-15(23)21-20-7-9-3-1-2-4-14(9)22/h1-7,19,22H,8H2,(H,21,23)/b20-7+
InChIKeyDDVDZIRQIVRVOJ-IFRROFPPSA-N
MW505.99 g/mol
LogP4.24
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide (PubChem CID 135420016) has the molecular formula C15H12Br3N3O2 and a molecular weight of 505.99 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
PubChem CID135420016
Molecular FormulaC15H12Br3N3O2
Molecular Weight505.99 g/mol
Exact Mass502.85
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
SMILESO=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1ccccc1O
InChIInChI=1S/C15H12Br3N3O2/c16-10-5-12(18)13(6-11(10)17)19-8-15(23)21-20-7-9-3-1-2-4-14(9)22/h1-7,19,22H,8H2,(H,21,23)/b20-7+
InChIKeyDDVDZIRQIVRVOJ-IFRROFPPSA-N
XLogP4.24
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.99
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-[(2-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 1246171
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136773677
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
CID 5015504
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135420036
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide (CID 135420016) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The InChIKey is DDVDZIRQIVRVOJ-IFRROFPPSA-N. The full InChI is InChI=1S/C15H12Br3N3O2/c16-10-5-12(18)13(6-11(10)17)19-8-15(23)21-20-7-9-3-1-2-4-14(9)22/h1-7,19,22H,8H2,(H,21,23)/b20-7+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide has a molecular weight of 505.99 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is sourced from PubChem (CID 135420016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).