N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide

C17H16BrN3O3 — CID 4530785

IUPACN-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccccc1O
InChIInChI=1S/C17H16BrN3O3/c18-13-5-7-14(8-6-13)20-16(23)9-10-17(24)21-19-11-12-3-1-2-4-15(12)22/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeySBIOFJMATGJHSN-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.02
Rot. Bonds6

About N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide

N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 4530785) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID4530785
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccccc1O
InChIInChI=1S/C17H16BrN3O3/c18-13-5-7-14(8-6-13)20-16(23)9-10-17(24)21-19-11-12-3-1-2-4-15(12)22/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeySBIOFJMATGJHSN-UHFFFAOYSA-N
XLogP3.02
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
CID 126271169
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 135650786
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide (CID 4530785) is N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccccc1O.
What is the InChIKey of N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is SBIOFJMATGJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c18-13-5-7-14(8-6-13)20-16(23)9-10-17(24)21-19-11-12-3-1-2-4-15(12)22/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 390.24 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4530785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).