N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide

C22H25ClFN3O3 — CID 37405485

IUPACN-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFN3O3/c1-30-20-7-4-17(23)15-19(20)25-21(28)8-9-26-10-12-27(13-11-26)22(29)14-16-2-5-18(24)6-3-16/h2-7,15H,8-14H2,1H3,(H,25,28)
InChIKeyUNXUTNWWTRWWRH-UHFFFAOYSA-N
MW433.91 g/mol
LogP3.20
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 37405485) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID37405485
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFN3O3/c1-30-20-7-4-17(23)15-19(20)25-21(28)8-9-26-10-12-27(13-11-26)22(29)14-16-2-5-18(24)6-3-16/h2-7,15H,8-14H2,1H3,(H,25,28)
InChIKeyUNXUTNWWTRWWRH-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37405379
N-(5-chloro-2-methoxyphenyl)-3-[2-[(4-fluorophenyl)methyl]-1,4-oxazepan-4-yl]propanamide
CID 59393936
N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376096
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
CID 108944601
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166005024
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
2-(4-chlorophenyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 110399355
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 37405535
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (CID 37405485) is N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is UNXUTNWWTRWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c1-30-20-7-4-17(23)15-19(20)25-21(28)8-9-26-10-12-27(13-11-26)22(29)14-16-2-5-18(24)6-3-16/h2-7,15H,8-14H2,1H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 433.91 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 37405485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).