(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

C21H25F2N3O — CID 9460053

IUPAC(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)c1C
InChIInChI=1S/C21H25F2N3O/c1-14-6-4-9-19(15(14)2)26-12-10-25(11-13-26)16(3)21(27)24-20-17(22)7-5-8-18(20)23/h4-9,16H,10-13H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyMGEGAWBODJPPDV-MRXNPFEDSA-N
MW373.45 g/mol
LogP3.73
Rot. Bonds4

About (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 9460053) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID9460053
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)c1C
InChIInChI=1S/C21H25F2N3O/c1-14-6-4-9-19(15(14)2)26-12-10-25(11-13-26)16(3)21(27)24-20-17(22)7-5-8-18(20)23/h4-9,16H,10-13H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyMGEGAWBODJPPDV-MRXNPFEDSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582689
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
CID 144750411
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (CID 9460053) is (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)c1C.
What is the InChIKey of (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is MGEGAWBODJPPDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-14-6-4-9-19(15(14)2)26-12-10-25(11-13-26)16(3)21(27)24-20-17(22)7-5-8-18(20)23/h4-9,16H,10-13H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9460053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).