N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C21H24ClFN4O2 — CID 86968144

IUPACN-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1
InChIInChI=1S/C21H24ClFN4O2/c1-14(21(29)25-20-8-5-17(13-19(20)22)24-15(2)28)26-9-11-27(12-10-26)18-6-3-16(23)4-7-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyBKZIZWCVLGTOQW-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.59
Rot. Bonds5

About N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 86968144) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID86968144
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC NameN-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1
InChIInChI=1S/C21H24ClFN4O2/c1-14(21(29)25-20-8-5-17(13-19(20)22)24-15(2)28)26-9-11-27(12-10-26)18-6-3-16(23)4-7-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyBKZIZWCVLGTOQW-UHFFFAOYSA-N
XLogP3.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 86968144) is N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(=O)Nc1ccc(NC(=O)C(C)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is BKZIZWCVLGTOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c1-14(21(29)25-20-8-5-17(13-19(20)22)24-15(2)28)26-9-11-27(12-10-26)18-6-3-16(23)4-7-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 418.90 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86968144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).