2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide

C19H20ClFN4O2 — CID 8530111

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C19H20ClFN4O2/c20-14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18(26)23-19(27)22-17-7-2-1-6-16(17)21/h1-7,12H,8-11,13H2,(H2,22,23,26,27)
InChIKeyWQUUVWBGOXGNIK-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.95
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 8530111) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID8530111
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C19H20ClFN4O2/c20-14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18(26)23-19(27)22-17-7-2-1-6-16(17)21/h1-7,12H,8-11,13H2,(H2,22,23,26,27)
InChIKeyWQUUVWBGOXGNIK-UHFFFAOYSA-N
XLogP2.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266367
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 8530111) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is WQUUVWBGOXGNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c20-14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18(26)23-19(27)22-17-7-2-1-6-16(17)21/h1-7,12H,8-11,13H2,(H2,22,23,26,27).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 390.85 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 8530111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).