N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide

C17H16ClF2NO — CID 134938040

IUPACN-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide
SMILESCCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C17H16ClF2NO/c1-2-15(22)21-16(12-8-10-14(18)11-9-12)17(19,20)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3,(H,21,22)
InChIKeyQMGGWFWMTDBMEM-UHFFFAOYSA-N
MW323.77 g/mol
LogP4.70
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide

N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide (PubChem CID 134938040) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide
PubChem CID134938040
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC NameN-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide
SMILESCCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C17H16ClF2NO/c1-2-15(22)21-16(12-8-10-14(18)11-9-12)17(19,20)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3,(H,21,22)
InChIKeyQMGGWFWMTDBMEM-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide (CID 134938040) is N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide is CCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide?
The InChIKey is QMGGWFWMTDBMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c1-2-15(22)21-16(12-8-10-14(18)11-9-12)17(19,20)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide?
N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide has a molecular weight of 323.77 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]propanamide is sourced from PubChem (CID 134938040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).