(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

C20H24ClFN3O+ — CID 9431499

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O/c1-14-3-4-16(21)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)/p+1/t15-/m1/s1
InChIKeyCPBDLZWNOFHBOR-OAHLLOKOSA-O
MW376.88 g/mol
LogP2.52
Rot. Bonds4

About (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 9431499) has the molecular formula C20H24ClFN3O+ and a molecular weight of 376.88 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID9431499
Molecular FormulaC20H24ClFN3O+
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O/c1-14-3-4-16(21)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)/p+1/t15-/m1/s1
InChIKeyCPBDLZWNOFHBOR-OAHLLOKOSA-O
XLogP2.52
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide 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

(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276854
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
ethyl 4-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431198
(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 7390067
(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-difluorophenyl)propanamide
CID 9442700
(2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 2483461
(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2653989
(2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2442918
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
CID 9442654
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8529813
(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-(2,4-difluorophenyl)propanamide
CID 9444962

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide (CID 9431499) is (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is CPBDLZWNOFHBOR-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H23ClFN3O/c1-14-3-4-16(21)13-19(14)23-20(26)15(2)24-9-11-25(12-10-24)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)/p+1/t15-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 376.88 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 9431499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).