(2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide

C17H16Br2N2O4 — CID 15338206

IUPAC(2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
SMILESO=C(NCCc1ccc(O)c(Br)c1)/C(Cc1ccc(O)c(Br)c1)=N\O
InChIInChI=1S/C17H16Br2N2O4/c18-12-7-10(1-3-15(12)22)5-6-20-17(24)14(21-25)9-11-2-4-16(23)13(19)8-11/h1-4,7-8,22-23,25H,5-6,9H2,(H,20,24)/b21-14-
InChIKeyXEBJFQMMTPIWKF-STZFKDTASA-N
MW472.13 g/mol
LogP3.35
Rot. Bonds6

About (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide

(2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide (PubChem CID 15338206) has the molecular formula C17H16Br2N2O4 and a molecular weight of 472.13 g/mol. Its IUPAC name is (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide.

Molecular Properties

Compound Name(2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
PubChem CID15338206
Molecular FormulaC17H16Br2N2O4
Molecular Weight472.13 g/mol
Exact Mass469.95
IUPAC Name(2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
SMILESO=C(NCCc1ccc(O)c(Br)c1)/C(Cc1ccc(O)c(Br)c1)=N\O
InChIInChI=1S/C17H16Br2N2O4/c18-12-7-10(1-3-15(12)22)5-6-20-17(24)14(21-25)9-11-2-4-16(23)13(19)8-11/h1-4,7-8,22-23,25H,5-6,9H2,(H,20,24)/b21-14-
InChIKeyXEBJFQMMTPIWKF-STZFKDTASA-N
XLogP3.35
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide?
The IUPAC name of (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide (CID 15338206) is (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide.
What is the SMILES notation for (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide?
The canonical SMILES for (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide is O=C(NCCc1ccc(O)c(Br)c1)/C(Cc1ccc(O)c(Br)c1)=N\O.
What is the InChIKey of (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide?
The InChIKey is XEBJFQMMTPIWKF-STZFKDTASA-N. The full InChI is InChI=1S/C17H16Br2N2O4/c18-12-7-10(1-3-15(12)22)5-6-20-17(24)14(21-25)9-11-2-4-16(23)13(19)8-11/h1-4,7-8,22-23,25H,5-6,9H2,(H,20,24)/b21-14-.
What are the key properties of (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide?
(2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide has a molecular weight of 472.13 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide is sourced from PubChem (CID 15338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).