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

C21H23ClF2N2O — CID 134801799

IUPAC1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC3C(=O)NCC(F)F)c2)cc1Cl
InChIInChI=1S/C21H23ClF2N2O/c1-14-7-8-17(11-18(14)22)16-5-2-4-15(10-16)13-26-9-3-6-19(26)21(27)25-12-20(23)24/h2,4-5,7-8,10-11,19-20H,3,6,9,12-13H2,1H3,(H,25,27)
InChIKeyOJEQIJGIDFMJTG-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.66
Rot. Bonds6

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

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 134801799) has the molecular formula C21H23ClF2N2O and a molecular weight of 392.88 g/mol. Its IUPAC name is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide
PubChem CID134801799
Molecular FormulaC21H23ClF2N2O
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC3C(=O)NCC(F)F)c2)cc1Cl
InChIInChI=1S/C21H23ClF2N2O/c1-14-7-8-17(11-18(14)22)16-5-2-4-15(10-16)13-26-9-3-6-19(26)21(27)25-12-20(23)24/h2,4-5,7-8,10-11,19-20H,3,6,9,12-13H2,1H3,(H,25,27)
InChIKeyOJEQIJGIDFMJTG-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gsk-1482160
CID 23649427
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
1-Benzyl-N-{3-[4-(2,6-Dichlorophenyl)piperidin-1-Yl]propyl}-D-Prolinamide
CID 25001412
1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
CID 448675
m-Chlorobenzylamide, 2
CID 44237081
(S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 10744643
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
m-Chlorobenzylamide, 7
CID 44237086
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
CID 71449446
(2S,3S)-3-[4-(2-chlorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895818
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
(S)-1-[(S)-3-Cyclohexyl-3-(diethylcarbamoylmethyl-amino)-propionyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 44326592

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide (CID 134801799) is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide is Cc1ccc(-c2cccc(CN3CCCC3C(=O)NCC(F)F)c2)cc1Cl.
What is the InChIKey of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is OJEQIJGIDFMJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O/c1-14-7-8-17(11-18(14)22)16-5-2-4-15(10-16)13-26-9-3-6-19(26)21(27)25-12-20(23)24/h2,4-5,7-8,10-11,19-20H,3,6,9,12-13H2,1H3,(H,25,27).
What are the key properties of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide?
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 392.88 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134801799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).