N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide

C18H17Br2N3O3 — CID 135906534

IUPACN'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1ccc(O)c(Br)c1
InChIInChI=1S/C18H17Br2N3O3/c19-13-5-7-14(8-6-13)22-17(25)2-1-3-18(26)23-21-11-12-4-9-16(24)15(20)10-12/h4-11,24H,1-3H2,(H,22,25)(H,23,26)/b21-11-
InChIKeyZWNIRVCXZTVLBH-NHDPSOOVSA-N
MW483.16 g/mol
LogP4.18
Rot. Bonds7

About N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide

N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide (PubChem CID 135906534) has the molecular formula C18H17Br2N3O3 and a molecular weight of 483.16 g/mol. Its IUPAC name is N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide.

Molecular Properties

Compound NameN'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide
PubChem CID135906534
Molecular FormulaC18H17Br2N3O3
Molecular Weight483.16 g/mol
Exact Mass480.96
IUPAC NameN'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1ccc(O)c(Br)c1
InChIInChI=1S/C18H17Br2N3O3/c19-13-5-7-14(8-6-13)22-17(25)2-1-3-18(26)23-21-11-12-4-9-16(24)15(20)10-12/h4-11,24H,1-3H2,(H,22,25)(H,23,26)/b21-11-
InChIKeyZWNIRVCXZTVLBH-NHDPSOOVSA-N
XLogP4.18
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.16
LogP ≤ 54.18
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-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide
CID 136734104
N'-[(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3300932
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
CID 126180534
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 135716444
N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
CID 5016770
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-(4-bromophenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 6144716
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 136713309
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 5021089

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide?
The IUPAC name of N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide (CID 135906534) is N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide.
What is the SMILES notation for N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide?
The canonical SMILES for N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide is O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1ccc(O)c(Br)c1.
What is the InChIKey of N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide?
The InChIKey is ZWNIRVCXZTVLBH-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H17Br2N3O3/c19-13-5-7-14(8-6-13)22-17(25)2-1-3-18(26)23-21-11-12-4-9-16(24)15(20)10-12/h4-11,24H,1-3H2,(H,22,25)(H,23,26)/b21-11-.
What are the key properties of N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide?
N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide has a molecular weight of 483.16 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide is sourced from PubChem (CID 135906534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).