N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide

C22H26F2N2O — CID 134797773

IUPACN-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)NCC(F)F)cc2)c1
InChIInChI=1S/C22H26F2N2O/c1-15-10-16(2)12-19(11-15)18-7-5-17(6-8-18)14-26-9-3-4-20(26)22(27)25-13-21(23)24/h5-8,10-12,20-21H,3-4,9,13-14H2,1-2H3,(H,25,27)
InChIKeyFUFQSUUPZAQXNQ-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.32
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide

N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 134797773) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID134797773
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC NameN-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)NCC(F)F)cc2)c1
InChIInChI=1S/C22H26F2N2O/c1-15-10-16(2)12-19(11-15)18-7-5-17(6-8-18)14-26-9-3-4-20(26)22(27)25-13-21(23)24/h5-8,10-12,20-21H,3-4,9,13-14H2,1-2H3,(H,25,27)
InChIKeyFUFQSUUPZAQXNQ-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 134800141
[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 134803397
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798064
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799284
(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
CID 154799506
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134799026
1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
CID 60615305
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 134797773) is N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)NCC(F)F)cc2)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FUFQSUUPZAQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-15-10-16(2)12-19(11-15)18-7-5-17(6-8-18)14-26-9-3-4-20(26)22(27)25-13-21(23)24/h5-8,10-12,20-21H,3-4,9,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134797773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).