2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide

C15H13Cl2NO — CID 71455902

IUPAC2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide
SMILESCc1ccccc1-c1cccc(NC(=O)C(Cl)Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)18-15(19)14(16)17/h2-9,14H,1H3,(H,18,19)
InChIKeyVWYIKTCDKULEFX-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.40
Rot. Bonds3

About 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide

2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide (PubChem CID 71455902) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide
PubChem CID71455902
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide
SMILESCc1ccccc1-c1cccc(NC(=O)C(Cl)Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)18-15(19)14(16)17/h2-9,14H,1H3,(H,18,19)
InChIKeyVWYIKTCDKULEFX-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide (CID 71455902) is 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide is Cc1ccccc1-c1cccc(NC(=O)C(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide?
The InChIKey is VWYIKTCDKULEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)18-15(19)14(16)17/h2-9,14H,1H3,(H,18,19).
What are the key properties of 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide?
2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide has a molecular weight of 294.18 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-(2-methylphenyl)phenyl]acetamide is sourced from PubChem (CID 71455902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).