2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C20H22FN3O2 — CID 18120436

IUPAC2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C20H22FN3O2/c1-15-5-4-6-16(13-15)23-9-11-24(12-10-23)19(25)14-22-20(26)17-7-2-3-8-18(17)21/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyYDWDBZFQEPRKDM-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.21
Rot. Bonds4

About 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 18120436) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID18120436
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C20H22FN3O2/c1-15-5-4-6-16(13-15)23-9-11-24(12-10-23)19(25)14-22-20(26)17-7-2-3-8-18(17)21/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyYDWDBZFQEPRKDM-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 110413769
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 25398392
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
N-[2-(2-fluorophenyl)ethyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108948236
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 18120436) is 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is YDWDBZFQEPRKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-15-5-4-6-16(13-15)23-9-11-24(12-10-23)19(25)14-22-20(26)17-7-2-3-8-18(17)21/h2-8,13H,9-12,14H2,1H3,(H,22,26).
What are the key properties of 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 355.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 18120436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).