N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide

C18H19ClF2N3O+ — CID 2654092

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClF2N3O/c19-13-5-6-16(15(21)11-13)22-18(25)12-23-7-9-24(10-8-23)17-4-2-1-3-14(17)20/h1-6,11H,7-10,12H2,(H,22,25)/p+1
InChIKeyKUJJULCPOOHXDC-UHFFFAOYSA-O
MW366.82 g/mol
LogP1.96
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2654092) has the molecular formula C18H19ClF2N3O+ and a molecular weight of 366.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2654092
Molecular FormulaC18H19ClF2N3O+
Molecular Weight366.82 g/mol
Exact Mass366.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClF2N3O/c19-13-5-6-16(15(21)11-13)22-18(25)12-23-7-9-24(10-8-23)17-4-2-1-3-14(17)20/h1-6,11H,7-10,12H2,(H,22,25)/p+1
InChIKeyKUJJULCPOOHXDC-UHFFFAOYSA-O
XLogP1.96
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2539642
N-(4-chloro-2-fluorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7949059
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500
N-(5-chloro-2-fluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582798
N-(2,4-difluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2264829
N-[4-bromo-2-(2-bromobenzoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 4205509
N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8591211
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8591327
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7027960

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide (CID 2654092) is N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is KUJJULCPOOHXDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18ClF2N3O/c19-13-5-6-16(15(21)11-13)22-18(25)12-23-7-9-24(10-8-23)17-4-2-1-3-14(17)20/h1-6,11H,7-10,12H2,(H,22,25)/p+1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 366.82 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2654092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).