2-chloro-N-methyl-N,3-diphenylpropanamide

C16H16ClNO — CID 66744921

IUPAC2-chloro-N-methyl-N,3-diphenylpropanamide
SMILESCN(C(=O)C(Cl)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-18(14-10-6-3-7-11-14)16(19)15(17)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKeyADZQEKYTOIIKCZ-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-N-methyl-N,3-diphenylpropanamide

2-chloro-N-methyl-N,3-diphenylpropanamide (PubChem CID 66744921) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N,3-diphenylpropanamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N,3-diphenylpropanamide
PubChem CID66744921
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-methyl-N,3-diphenylpropanamide
SMILESCN(C(=O)C(Cl)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-18(14-10-6-3-7-11-14)16(19)15(17)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKeyADZQEKYTOIIKCZ-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
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-chloro-N-methyl-N,3-diphenylpropanamide?
The IUPAC name of 2-chloro-N-methyl-N,3-diphenylpropanamide (CID 66744921) is 2-chloro-N-methyl-N,3-diphenylpropanamide.
What is the SMILES notation for 2-chloro-N-methyl-N,3-diphenylpropanamide?
The canonical SMILES for 2-chloro-N-methyl-N,3-diphenylpropanamide is CN(C(=O)C(Cl)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-N,3-diphenylpropanamide?
The InChIKey is ADZQEKYTOIIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18(14-10-6-3-7-11-14)16(19)15(17)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3.
What are the key properties of 2-chloro-N-methyl-N,3-diphenylpropanamide?
2-chloro-N-methyl-N,3-diphenylpropanamide has a molecular weight of 273.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N,3-diphenylpropanamide is sourced from PubChem (CID 66744921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).