4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

C22H26FN3O3 — CID 27756575

IUPAC4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-2-29-19-9-7-17(8-10-19)22(28)24-15-21(27)26-13-11-25(12-14-26)16-18-5-3-4-6-20(18)23/h3-10H,2,11-16H2,1H3,(H,24,28)
InChIKeyQVPDBKYGYQZYFH-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.30
Rot. Bonds7

About 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 27756575) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID27756575
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-2-29-19-9-7-17(8-10-19)22(28)24-15-21(27)26-13-11-25(12-14-26)16-18-5-3-4-6-20(18)23/h3-10H,2,11-16H2,1H3,(H,24,28)
InChIKeyQVPDBKYGYQZYFH-UHFFFAOYSA-N
XLogP2.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 9105801
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CID 9415430
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282
4-chloro-N-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25471182
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110613299
N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 31443397
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 27756575) is 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QVPDBKYGYQZYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-2-29-19-9-7-17(8-10-19)22(28)24-15-21(27)26-13-11-25(12-14-26)16-18-5-3-4-6-20(18)23/h3-10H,2,11-16H2,1H3,(H,24,28).
What are the key properties of 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 27756575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).