N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

C19H22Cl2FN3O — CID 120757048

IUPACN-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C19H21ClFN3O.ClH/c1-13-9-15(20)5-6-17(13)23-19(25)12-24-8-7-22-11-18(24)14-3-2-4-16(21)10-14;/h2-6,9-10,18,22H,7-8,11-12H2,1H3,(H,23,25);1H
InChIKeyRDNYXOWEJMYKEV-UHFFFAOYSA-N
MW398.31 g/mol
LogP3.79
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120757048) has the molecular formula C19H22Cl2FN3O and a molecular weight of 398.31 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120757048
Molecular FormulaC19H22Cl2FN3O
Molecular Weight398.31 g/mol
Exact Mass397.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C19H21ClFN3O.ClH/c1-13-9-15(20)5-6-17(13)23-19(25)12-24-8-7-22-11-18(24)14-3-2-4-16(21)10-14;/h2-6,9-10,18,22H,7-8,11-12H2,1H3,(H,23,25);1H
InChIKeyRDNYXOWEJMYKEV-UHFFFAOYSA-N
XLogP3.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
N-[(2,3-dimethylphenyl)carbamoyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756139
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120757048) is N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is Cc1cc(Cl)ccc1NC(=O)CN1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is RDNYXOWEJMYKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O.ClH/c1-13-9-15(20)5-6-17(13)23-19(25)12-24-8-7-22-11-18(24)14-3-2-4-16(21)10-14;/h2-6,9-10,18,22H,7-8,11-12H2,1H3,(H,23,25);1H.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 398.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120757048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).