2-chloro-N-(4-phenoxyphenyl)acetamide

C14H12ClNO2 — CID 736969

IUPAC2-chloro-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
InChIKeyPHUZNDQAFGNCRQ-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-N-(4-phenoxyphenyl)acetamide

2-chloro-N-(4-phenoxyphenyl)acetamide (PubChem CID 736969) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenoxyphenyl)acetamide
PubChem CID736969
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-chloro-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
InChIKeyPHUZNDQAFGNCRQ-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-phenoxyphenyl)acetamide (CID 736969) is 2-chloro-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-phenoxyphenyl)acetamide is O=C(CCl)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-(4-phenoxyphenyl)acetamide?
The InChIKey is PHUZNDQAFGNCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17).
What are the key properties of 2-chloro-N-(4-phenoxyphenyl)acetamide?
2-chloro-N-(4-phenoxyphenyl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 736969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).