3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide

C21H24ClN3O2 — CID 35951576

IUPAC3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(15-19)21(27)23-16-20(26)25-13-11-24(12-14-25)10-9-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,23,27)
InChIKeyADDPIEGVPACCBR-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.46
Rot. Bonds6

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

3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 35951576) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
PubChem CID35951576
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(15-19)21(27)23-16-20(26)25-13-11-24(12-14-25)10-9-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,23,27)
InChIKeyADDPIEGVPACCBR-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55395088
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide
CID 31952128
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide (CID 35951576) is 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is ADDPIEGVPACCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(15-19)21(27)23-16-20(26)25-13-11-24(12-14-25)10-9-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,23,27).
What are the key properties of 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 385.90 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 35951576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).