2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C21H23ClFN3O3 — CID 55739673

IUPAC2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C21H23ClFN3O3/c1-29-19-5-3-2-4-15(19)13-24-20(27)14-25-8-10-26(11-9-25)21(28)17-12-16(22)6-7-18(17)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyVWKOVLVJZYRZMT-UHFFFAOYSA-N
MW419.88 g/mol
LogP2.56
Rot. Bonds6

About 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 55739673) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID55739673
Molecular FormulaC21H23ClFN3O3
Molecular Weight419.88 g/mol
Exact Mass419.14
IUPAC Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C21H23ClFN3O3/c1-29-19-5-3-2-4-15(19)13-24-20(27)14-25-8-10-26(11-9-25)21(28)17-12-16(22)6-7-18(17)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyVWKOVLVJZYRZMT-UHFFFAOYSA-N
XLogP2.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 37446914
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
CID 55842315
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55543337
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one
CID 55716290
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 55739673) is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is VWKOVLVJZYRZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c1-29-19-5-3-2-4-15(19)13-24-20(27)14-25-8-10-26(11-9-25)21(28)17-12-16(22)6-7-18(17)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 419.88 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55739673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).