(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide

C19H21ClF2N3O+ — CID 9444962

IUPAC(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClF2N3O/c1-13(19(26)23-17-7-6-14(21)12-16(17)22)24-8-10-25(11-9-24)18-5-3-2-4-15(18)20/h2-7,12-13H,8-11H2,1H3,(H,23,26)/p+1/t13-/m1/s1
InChIKeyGQWDOQZIMCJALL-CYBMUJFWSA-O
MW380.85 g/mol
LogP2.35
Rot. Bonds4

About (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide

(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide (PubChem CID 9444962) has the molecular formula C19H21ClF2N3O+ and a molecular weight of 380.85 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide
PubChem CID9444962
Molecular FormulaC19H21ClF2N3O+
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC Name(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClF2N3O/c1-13(19(26)23-17-7-6-14(21)12-16(17)22)24-8-10-25(11-9-24)18-5-3-2-4-15(18)20/h2-7,12-13H,8-11H2,1H3,(H,23,26)/p+1/t13-/m1/s1
InChIKeyGQWDOQZIMCJALL-CYBMUJFWSA-O
XLogP2.35
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432656
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
(2S)-N-(2,5-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432663
(2R)-N-(2,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445502
(2S)-N-(2,4-difluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9446154
(2S)-2-(azepan-1-ium-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9249899
(2S)-N-(2,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide
CID 8726397
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9445018
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7774728
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8704518
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
(2S)-N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide (CID 9444962) is (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is GQWDOQZIMCJALL-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H20ClF2N3O/c1-13(19(26)23-17-7-6-14(21)12-16(17)22)24-8-10-25(11-9-24)18-5-3-2-4-15(18)20/h2-7,12-13H,8-11H2,1H3,(H,23,26)/p+1/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide?
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 380.85 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 9444962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).