2-(4-chloroanilino)-2-hydroxy-1-phenylethanone

C14H12ClNO2 — CID 13351401

IUPAC2-(4-chloroanilino)-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-11-6-8-12(9-7-11)16-14(18)13(17)10-4-2-1-3-5-10/h1-9,14,16,18H
InChIKeyFXINKLRWURZFNU-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone

2-(4-chloroanilino)-2-hydroxy-1-phenylethanone (PubChem CID 13351401) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-hydroxy-1-phenylethanone
PubChem CID13351401
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-(4-chloroanilino)-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-11-6-8-12(9-7-11)16-14(18)13(17)10-4-2-1-3-5-10/h1-9,14,16,18H
InChIKeyFXINKLRWURZFNU-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone (CID 13351401) is 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)C(O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone?
The InChIKey is FXINKLRWURZFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-11-6-8-12(9-7-11)16-14(18)13(17)10-4-2-1-3-5-10/h1-9,14,16,18H.
What are the key properties of 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone?
2-(4-chloroanilino)-2-hydroxy-1-phenylethanone has a molecular weight of 261.71 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 13351401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).