N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C22H26ClFN4O2 — CID 30721853

IUPACN-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C22H26ClFN4O2/c1-16-2-5-18(6-3-16)25-22(30)15-28-12-10-27(11-13-28)9-8-21(29)26-20-7-4-17(23)14-19(20)24/h2-7,14H,8-13,15H2,1H3,(H,25,30)(H,26,29)
InChIKeyZBKXNZGAGHSTGW-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.37
Rot. Bonds7

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

N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 30721853) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID30721853
Molecular FormulaC22H26ClFN4O2
Molecular Weight432.93 g/mol
Exact Mass432.17
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C22H26ClFN4O2/c1-16-2-5-18(6-3-16)25-22(30)15-28-12-10-27(11-13-28)9-8-21(29)26-20-7-4-17(23)14-19(20)24/h2-7,14H,8-13,15H2,1H3,(H,25,30)(H,26,29)
InChIKeyZBKXNZGAGHSTGW-UHFFFAOYSA-N
XLogP3.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30741234
N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 18133462
3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30739246
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22195453
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9131120
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 30721853) is N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is ZBKXNZGAGHSTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O2/c1-16-2-5-18(6-3-16)25-22(30)15-28-12-10-27(11-13-28)9-8-21(29)26-20-7-4-17(23)14-19(20)24/h2-7,14H,8-13,15H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 432.93 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30721853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).