N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide

C19H22FN3O2 — CID 3754034

IUPACN-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-25-14-19(24)21-15-7-8-18(17(20)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyHJAUFIGMQNFCRD-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.74
Rot. Bonds5

About N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide

N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide (PubChem CID 3754034) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide
PubChem CID3754034
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-25-14-19(24)21-15-7-8-18(17(20)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyHJAUFIGMQNFCRD-UHFFFAOYSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide (CID 3754034) is N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide?
The InChIKey is HJAUFIGMQNFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-14-19(24)21-15-7-8-18(17(20)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide?
N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide has a molecular weight of 343.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 3754034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).