N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C20H21ClFN3O2 — CID 46333136

IUPACN-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1F)N1CCNCC1
InChIInChI=1S/C20H21ClFN3O2/c21-16-7-5-15(6-8-16)13-25(14-19(26)24-11-9-23-10-12-24)20(27)17-3-1-2-4-18(17)22/h1-8,23H,9-14H2
InChIKeyGGLHPCRPYKAZLZ-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.55
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 46333136) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID46333136
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1F)N1CCNCC1
InChIInChI=1S/C20H21ClFN3O2/c21-16-7-5-15(6-8-16)13-25(14-19(26)24-11-9-23-10-12-24)20(27)17-3-1-2-4-18(17)22/h1-8,23H,9-14H2
InChIKeyGGLHPCRPYKAZLZ-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146074122
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058528
3-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058449
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061605
N-[(4-bromophenyl)methyl]-3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058513
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
3-(2-fluorophenyl)-1-piperazin-1-ylbut-2-en-1-one
CID 126781789
4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332945
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 46333136) is N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1F)N1CCNCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is GGLHPCRPYKAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-7-5-15(6-8-16)13-25(14-19(26)24-11-9-23-10-12-24)20(27)17-3-1-2-4-18(17)22/h1-8,23H,9-14H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 389.86 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 46333136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).