N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide

C18H16Br3N3O3 — CID 136734104

IUPACN-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C18H16Br3N3O3/c19-12-4-6-13(7-5-12)23-16(25)2-1-3-17(26)24-22-10-11-8-14(20)18(27)15(21)9-11/h4-10,27H,1-3H2,(H,23,25)(H,24,26)/b22-10-
InChIKeySYDHBJUVACNSHH-YVNNLAQVSA-N
MW562.06 g/mol
LogP4.94
Rot. Bonds7

About N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide

N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide (PubChem CID 136734104) has the molecular formula C18H16Br3N3O3 and a molecular weight of 562.06 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide
PubChem CID136734104
Molecular FormulaC18H16Br3N3O3
Molecular Weight562.06 g/mol
Exact Mass558.87
IUPAC NameN-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C18H16Br3N3O3/c19-12-4-6-13(7-5-12)23-16(25)2-1-3-17(26)24-22-10-11-8-14(20)18(27)15(21)9-11/h4-10,27H,1-3H2,(H,23,25)(H,24,26)/b22-10-
InChIKeySYDHBJUVACNSHH-YVNNLAQVSA-N
XLogP4.94
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.06
LogP ≤ 54.94
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-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide
CID 135906534
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788590
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
CID 126180534
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499
N'-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4011727
N-(4-bromophenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 6144716
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N'-[(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3300932
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide (CID 136734104) is N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide is O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide?
The InChIKey is SYDHBJUVACNSHH-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H16Br3N3O3/c19-12-4-6-13(7-5-12)23-16(25)2-1-3-17(26)24-22-10-11-8-14(20)18(27)15(21)9-11/h4-10,27H,1-3H2,(H,23,25)(H,24,26)/b22-10-.
What are the key properties of N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide?
N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide has a molecular weight of 562.06 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 136734104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).