2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide

C21H24F2N2O2 — CID 7310648

IUPAC2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)C(F)(F)C(=O)N(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C21H24F2N2O2/c1-15(17-11-7-5-8-12-17)24(3)19(26)21(22,23)20(27)25(4)16(2)18-13-9-6-10-14-18/h5-16H,1-4H3/t15-,16+
InChIKeyWCCNEKJAUICGHQ-IYBDPMFKSA-N
MW374.43 g/mol
LogP4.06
Rot. Bonds6

About 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide

2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide (PubChem CID 7310648) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide.

Molecular Properties

Compound Name2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
PubChem CID7310648
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)C(F)(F)C(=O)N(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C21H24F2N2O2/c1-15(17-11-7-5-8-12-17)24(3)19(26)21(22,23)20(27)25(4)16(2)18-13-9-6-10-14-18/h5-16H,1-4H3/t15-,16+
InChIKeyWCCNEKJAUICGHQ-IYBDPMFKSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl(1-phenylethyl)carbamic acid
CID 67062794
N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide
CID 99837862
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
fluoro(1-phenylethyl)carbamic acid
CID 152621646
(2-fluoro-1-phenylpropyl)-methylcarbamic acid
CID 57373616
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
2-methyl-4-[methyl(1-phenylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43579990
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide?
The IUPAC name of 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide (CID 7310648) is 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide.
What is the SMILES notation for 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide?
The canonical SMILES for 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide is C[C@H](c1ccccc1)N(C)C(=O)C(F)(F)C(=O)N(C)[C@@H](C)c1ccccc1.
What is the InChIKey of 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide?
The InChIKey is WCCNEKJAUICGHQ-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-15(17-11-7-5-8-12-17)24(3)19(26)21(22,23)20(27)25(4)16(2)18-13-9-6-10-14-18/h5-16H,1-4H3/t15-,16+.
What are the key properties of 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide?
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide has a molecular weight of 374.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide is sourced from PubChem (CID 7310648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).