4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

C22H26ClN3O2 — CID 112759974

IUPAC4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-2-25-12-14-26(15-13-25)22(28)20(16-17-6-4-3-5-7-17)24-21(27)18-8-10-19(23)11-9-18/h3-11,20H,2,12-16H2,1H3,(H,24,27)
InChIKeyUTIBVKQZAYIWTJ-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.85
Rot. Bonds6

About 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 112759974) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID112759974
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-2-25-12-14-26(15-13-25)22(28)20(16-17-6-4-3-5-7-17)24-21(27)18-8-10-19(23)11-9-18/h3-11,20H,2,12-16H2,1H3,(H,24,27)
InChIKeyUTIBVKQZAYIWTJ-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl]benzamide
CID 56571003
1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 136577136
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55447451
4-chloro-N-[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98773849
4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51863777
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56572676
4-chloro-N-[(2R)-1-[(3R)-4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98424401
2-(2-chloroanilino)-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813509
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 112759974) is 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is CCN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is UTIBVKQZAYIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-2-25-12-14-26(15-13-25)22(28)20(16-17-6-4-3-5-7-17)24-21(27)18-8-10-19(23)11-9-18/h3-11,20H,2,12-16H2,1H3,(H,24,27).
What are the key properties of 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 399.92 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 112759974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).