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

C19H22ClFN3O+ — CID 7027960

IUPACN-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
SMILESO=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)/p+1
InChIKeyFUIYVVXHDGGTDY-UHFFFAOYSA-O
MW362.86 g/mol
LogP2.21
Rot. Bonds5

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

N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 7027960) has the molecular formula C19H22ClFN3O+ and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID7027960
Molecular FormulaC19H22ClFN3O+
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
SMILESO=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)/p+1
InChIKeyFUIYVVXHDGGTDY-UHFFFAOYSA-O
XLogP2.21
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide
CID 4742313
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4745825
N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2654092
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
CID 6978066
N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269136
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8591365
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2539642
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742166

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide (CID 7027960) is N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide is O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is FUIYVVXHDGGTDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)/p+1.
What are the key properties of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide?
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 362.86 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 7027960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).