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

C27H28ClN3O2 — CID 55447451

IUPAC4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C27H28ClN3O2/c1-20-6-5-9-24(18-20)30-14-16-31(17-15-30)27(33)25(19-21-7-3-2-4-8-21)29-26(32)22-10-12-23(28)13-11-22/h2-13,18,25H,14-17,19H2,1H3,(H,29,32)
InChIKeyMHAYGZYWIKAAMZ-UHFFFAOYSA-N
MW461.99 g/mol
LogP4.34
Rot. Bonds6

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

4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55447451) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55447451
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C27H28ClN3O2/c1-20-6-5-9-24(18-20)30-14-16-31(17-15-30)27(33)25(19-21-7-3-2-4-8-21)29-26(32)22-10-12-23(28)13-11-22/h2-13,18,25H,14-17,19H2,1H3,(H,29,32)
InChIKeyMHAYGZYWIKAAMZ-UHFFFAOYSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46524297
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
4-chloro-N-[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl]benzamide
CID 56571003
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134059593
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51863777
4-chloro-N-[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98773849
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
4-chloro-N-[(2R)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxo-1-phenylbutan-2-yl]benzamide
CID 24740166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55447451) is 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is MHAYGZYWIKAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-20-6-5-9-24(18-20)30-14-16-31(17-15-30)27(33)25(19-21-7-3-2-4-8-21)29-26(32)22-10-12-23(28)13-11-22/h2-13,18,25H,14-17,19H2,1H3,(H,29,32).
What are the key properties of 4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 461.99 g/mol, XLogP of 4.34, 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-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55447451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).