(2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide

C11H13BrN2O2 — CID 142855124

IUPAC(2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide
SMILESCCCNC(=O)/C(=N/O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-2-7-13-11(15)10(14-16)8-3-5-9(12)6-4-8/h3-6,16H,2,7H2,1H3,(H,13,15)/b14-10+
InChIKeyUKAQLWSWFANSHF-GXDHUFHOSA-N
MW285.14 g/mol
LogP2.15
Rot. Bonds4

About (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide

(2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide (PubChem CID 142855124) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide.

Molecular Properties

Compound Name(2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide
PubChem CID142855124
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide
SMILESCCCNC(=O)/C(=N/O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-2-7-13-11(15)10(14-16)8-3-5-9(12)6-4-8/h3-6,16H,2,7H2,1H3,(H,13,15)/b14-10+
InChIKeyUKAQLWSWFANSHF-GXDHUFHOSA-N
XLogP2.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide?
The IUPAC name of (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide (CID 142855124) is (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide.
What is the SMILES notation for (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide?
The canonical SMILES for (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide is CCCNC(=O)/C(=N/O)c1ccc(Br)cc1.
What is the InChIKey of (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide?
The InChIKey is UKAQLWSWFANSHF-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-7-13-11(15)10(14-16)8-3-5-9(12)6-4-8/h3-6,16H,2,7H2,1H3,(H,13,15)/b14-10+.
What are the key properties of (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide?
(2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide has a molecular weight of 285.14 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-bromophenyl)-2-hydroxyimino-N-propylacetamide is sourced from PubChem (CID 142855124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).