(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide

C15H13ClN2O2 — CID 70681662

IUPAC(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide
SMILESNc1ccccc1-c1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C15H13ClN2O2/c16-13-9-11(12-3-1-2-4-14(12)17)6-5-10(13)7-8-15(19)18-20/h1-9,20H,17H2,(H,18,19)/b8-7+
InChIKeyGZUGTFVRQWPYIR-BQYQJAHWSA-N
MW288.73 g/mol
LogP3.11
Rot. Bonds3

About (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide (PubChem CID 70681662) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide
PubChem CID70681662
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide
SMILESNc1ccccc1-c1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C15H13ClN2O2/c16-13-9-11(12-3-1-2-4-14(12)17)6-5-10(13)7-8-15(19)18-20/h1-9,20H,17H2,(H,18,19)/b8-7+
InChIKeyGZUGTFVRQWPYIR-BQYQJAHWSA-N
XLogP3.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide (CID 70681662) is (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide is Nc1ccccc1-c1ccc(/C=C/C(=O)NO)c(Cl)c1.
What is the InChIKey of (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide?
The InChIKey is GZUGTFVRQWPYIR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-9-11(12-3-1-2-4-14(12)17)6-5-10(13)7-8-15(19)18-20/h1-9,20H,17H2,(H,18,19)/b8-7+.
What are the key properties of (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide has a molecular weight of 288.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70681662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).