(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide

C19H22ClFN3O+ — CID 9442654

IUPAC(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O/c1-14(19(25)22-17-6-3-5-16(21)13-17)23-8-10-24(11-9-23)18-7-2-4-15(20)12-18/h2-7,12-14H,8-11H2,1H3,(H,22,25)/p+1/t14-/m1/s1
InChIKeyBKARFVRAXXMYDN-CQSZACIVSA-O
MW362.86 g/mol
LogP2.21
Rot. Bonds4

About (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide

(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 9442654) has the molecular formula C19H22ClFN3O+ and a molecular weight of 362.86 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID9442654
Molecular FormulaC19H22ClFN3O+
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O/c1-14(19(25)22-17-6-3-5-16(21)13-17)23-8-10-24(11-9-23)18-7-2-4-15(20)12-18/h2-7,12-14H,8-11H2,1H3,(H,22,25)/p+1/t14-/m1/s1
InChIKeyBKARFVRAXXMYDN-CQSZACIVSA-O
XLogP2.21
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2454279
(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-difluorophenyl)propanamide
CID 9442700
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8529813
(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249280
(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275850
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
(2R)-N-(3-fluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493373
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8529804
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8529789
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide
CID 9442622
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431499
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 2562903

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide (CID 9442654) is (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide is C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is BKARFVRAXXMYDN-CQSZACIVSA-O. The full InChI is InChI=1S/C19H21ClFN3O/c1-14(19(25)22-17-6-3-5-16(21)13-17)23-8-10-24(11-9-23)18-7-2-4-15(20)12-18/h2-7,12-14H,8-11H2,1H3,(H,22,25)/p+1/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide?
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 362.86 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 9442654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).