2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

C14H18F2N2O — CID 103514779

IUPAC2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C(F)F
InChIInChI=1S/C14H18F2N2O/c15-13(16)14(19)17-10-12(18-8-4-5-9-18)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,19)
InChIKeyXBERNOCLPYKLQO-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.20
Rot. Bonds5

About 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 103514779) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID103514779
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C(F)F
InChIInChI=1S/C14H18F2N2O/c15-13(16)14(19)17-10-12(18-8-4-5-9-18)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,19)
InChIKeyXBERNOCLPYKLQO-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 103514779) is 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is O=C(NCC(c1ccccc1)N1CCCC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is XBERNOCLPYKLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-13(16)14(19)17-10-12(18-8-4-5-9-18)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,19).
What are the key properties of 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 268.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 103514779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).