(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide

C12H15BrN2O2 — CID 142468613

IUPAC(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide
SMILESCCCNC(=O)/C(Cc1cccc(Br)c1)=N/O
InChIInChI=1S/C12H15BrN2O2/c1-2-6-14-12(16)11(15-17)8-9-4-3-5-10(13)7-9/h3-5,7,17H,2,6,8H2,1H3,(H,14,16)/b15-11+
InChIKeyOBGDZFKTACGYPX-RVDMUPIBSA-N
MW299.17 g/mol
LogP2.35
Rot. Bonds5

About (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide

(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide (PubChem CID 142468613) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide.

Molecular Properties

Compound Name(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide
PubChem CID142468613
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide
SMILESCCCNC(=O)/C(Cc1cccc(Br)c1)=N/O
InChIInChI=1S/C12H15BrN2O2/c1-2-6-14-12(16)11(15-17)8-9-4-3-5-10(13)7-9/h3-5,7,17H,2,6,8H2,1H3,(H,14,16)/b15-11+
InChIKeyOBGDZFKTACGYPX-RVDMUPIBSA-N
XLogP2.35
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.35
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)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide?
The IUPAC name of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide (CID 142468613) is (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide.
What is the SMILES notation for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide?
The canonical SMILES for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide is CCCNC(=O)/C(Cc1cccc(Br)c1)=N/O.
What is the InChIKey of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide?
The InChIKey is OBGDZFKTACGYPX-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-2-6-14-12(16)11(15-17)8-9-4-3-5-10(13)7-9/h3-5,7,17H,2,6,8H2,1H3,(H,14,16)/b15-11+.
What are the key properties of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide?
(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide has a molecular weight of 299.17 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-propylpropanamide is sourced from PubChem (CID 142468613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).