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

C21H25FN4O2 — CID 9266367

IUPACN-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NC(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-16-5-4-6-17(13-16)14-25-9-11-26(12-10-25)15-20(27)24-21(28)23-19-8-3-2-7-18(19)22/h2-8,13H,9-12,14-15H2,1H3,(H2,23,24,27,28)
InChIKeyFMRSJLOZLZFUIR-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.60
Rot. Bonds5

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

N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9266367) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9266367
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NC(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-16-5-4-6-17(13-16)14-25-9-11-26(12-10-25)15-20(27)24-21(28)23-19-8-3-2-7-18(19)22/h2-8,13H,9-12,14-15H2,1H3,(H2,23,24,27,28)
InChIKeyFMRSJLOZLZFUIR-UHFFFAOYSA-N
XLogP2.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 9266367) is N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)NC(=O)Nc3ccccc3F)CC2)c1.
What is the InChIKey of N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FMRSJLOZLZFUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-16-5-4-6-17(13-16)14-25-9-11-26(12-10-25)15-20(27)24-21(28)23-19-8-3-2-7-18(19)22/h2-8,13H,9-12,14-15H2,1H3,(H2,23,24,27,28).
What are the key properties of N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9266367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).