(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide

C16H20F2N2O2 — CID 95196086

IUPAC(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-3-19(4-2)16(22)14-6-5-9-20(14)15(21)11-7-8-12(17)13(18)10-11/h7-8,10,14H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyKWZIUMOEGZJYTH-CQSZACIVSA-N
MW310.34 g/mol
LogP2.44
Rot. Bonds4

About (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide

(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 95196086) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID95196086
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-3-19(4-2)16(22)14-6-5-9-20(14)15(21)11-7-8-12(17)13(18)10-11/h7-8,10,14H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyKWZIUMOEGZJYTH-CQSZACIVSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 56804963
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305873
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
3-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-5-nitrobenzoic acid
CID 119182636
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
2-[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370456
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide (CID 95196086) is (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is KWZIUMOEGZJYTH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-3-19(4-2)16(22)14-6-5-9-20(14)15(21)11-7-8-12(17)13(18)10-11/h7-8,10,14H,3-6,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide?
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95196086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).