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

C22H22ClFN4O2 — CID 37405535

IUPACN-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C22H22ClFN4O2/c23-20-14-19(6-3-17(20)15-25)26-21(29)7-8-27-9-11-28(12-10-27)22(30)13-16-1-4-18(24)5-2-16/h1-6,14H,7-13H2,(H,26,29)
InChIKeyXUYKWVLCDLJRMO-UHFFFAOYSA-N
MW428.90 g/mol
LogP3.07
Rot. Bonds6

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

N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 37405535) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID37405535
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C22H22ClFN4O2/c23-20-14-19(6-3-17(20)15-25)26-21(29)7-8-27-9-11-28(12-10-27)22(30)13-16-1-4-18(24)5-2-16/h1-6,14H,7-13H2,(H,26,29)
InChIKeyXUYKWVLCDLJRMO-UHFFFAOYSA-N
XLogP3.07
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 87017025
N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565192
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 37405485
N-(3-chloro-4-cyanophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55625654
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
N-(3-chloro-4-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705345
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (CID 37405535) is N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is N#Cc1ccc(NC(=O)CCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is XUYKWVLCDLJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c23-20-14-19(6-3-17(20)15-25)26-21(29)7-8-27-9-11-28(12-10-27)22(30)13-16-1-4-18(24)5-2-16/h1-6,14H,7-13H2,(H,26,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 428.90 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 37405535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).