2-chloro-2-(3-phenoxyphenyl)acetamide

C14H12ClNO2 — CID 55047576

IUPAC2-chloro-2-(3-phenoxyphenyl)acetamide
SMILESNC(=O)C(Cl)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12ClNO2/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13H,(H2,16,17)
InChIKeyUVGYTCIJCPDHFL-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-2-(3-phenoxyphenyl)acetamide

2-chloro-2-(3-phenoxyphenyl)acetamide (PubChem CID 55047576) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-2-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(3-phenoxyphenyl)acetamide
PubChem CID55047576
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-chloro-2-(3-phenoxyphenyl)acetamide
SMILESNC(=O)C(Cl)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12ClNO2/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13H,(H2,16,17)
InChIKeyUVGYTCIJCPDHFL-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
1-(3-phenoxyphenyl)ethanol
CID 12882419
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
CID 76974283
dimethylamino 2-(3-phenoxyphenyl)propanoate
CID 174905214
bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
CID 21416898
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
1-(3-phenoxyphenyl)but-2-ynyl 2-(4-chlorophenyl)-3-methylbutanoate
CID 54172773
(1R,2S)-1-amino-5-methyl-1-(3-phenoxyphenyl)hexan-2-ol
CID 171261271
calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-phenoxyphenyl)acetamide?
The IUPAC name of 2-chloro-2-(3-phenoxyphenyl)acetamide (CID 55047576) is 2-chloro-2-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-2-(3-phenoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-2-(3-phenoxyphenyl)acetamide is NC(=O)C(Cl)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-chloro-2-(3-phenoxyphenyl)acetamide?
The InChIKey is UVGYTCIJCPDHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13H,(H2,16,17).
What are the key properties of 2-chloro-2-(3-phenoxyphenyl)acetamide?
2-chloro-2-(3-phenoxyphenyl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 55047576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).