N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide

C21H24ClFN4O2 — CID 42269122

IUPACN'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN4O2/c22-17-7-5-16(6-8-17)15-25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)19-4-2-1-3-18(19)23/h1-8H,9-15H2,(H,24,28)(H,25,29)
InChIKeyFNGHDFUPTFEXKE-UHFFFAOYSA-N
MW418.90 g/mol
LogP2.03
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42269122) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42269122
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN4O2/c22-17-7-5-16(6-8-17)15-25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)19-4-2-1-3-18(19)23/h1-8H,9-15H2,(H,24,28)(H,25,29)
InChIKeyFNGHDFUPTFEXKE-UHFFFAOYSA-N
XLogP2.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
(R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea
CID 9980155
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 54582965
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
2-(4-benzyl-1-piperazinyl)-N-phenylacetamide
CID 934745
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide (CID 42269122) is N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide is O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is FNGHDFUPTFEXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c22-17-7-5-16(6-8-17)15-25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)19-4-2-1-3-18(19)23/h1-8H,9-15H2,(H,24,28)(H,25,29).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 418.90 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42269122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).