N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide

C27H26Cl3N3O2 — CID 24739181

IUPACN-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(NCC(Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C27H26Cl3N3O2/c28-22-8-6-20(7-9-22)26(34)31-18-21(16-19-4-2-1-3-5-19)27(35)33-14-12-32(13-15-33)23-10-11-24(29)25(30)17-23/h1-11,17,21H,12-16,18H2,(H,31,34)
InChIKeyIHQNUNCLRLZDCT-UHFFFAOYSA-N
MW530.88 g/mol
LogP5.58
Rot. Bonds7

About N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide

N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide (PubChem CID 24739181) has the molecular formula C27H26Cl3N3O2 and a molecular weight of 530.88 g/mol. Its IUPAC name is N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide
PubChem CID24739181
Molecular FormulaC27H26Cl3N3O2
Molecular Weight530.88 g/mol
Exact Mass529.11
IUPAC NameN-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(NCC(Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C27H26Cl3N3O2/c28-22-8-6-20(7-9-22)26(34)31-18-21(16-19-4-2-1-3-5-19)27(35)33-14-12-32(13-15-33)23-10-11-24(29)25(30)17-23/h1-11,17,21H,12-16,18H2,(H,31,34)
InChIKeyIHQNUNCLRLZDCT-UHFFFAOYSA-N
XLogP5.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.88
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxo-1-phenylbutan-2-yl]benzamide
CID 24740166
N-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxo-1-phenylbutan-2-yl]benzamide
CID 69063884
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
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
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CID 69184296
N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
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N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
2,5-dichloro-N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862790
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
4-chloro-N-[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
The IUPAC name of N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide (CID 24739181) is N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide is O=C(NCC(Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
The InChIKey is IHQNUNCLRLZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl3N3O2/c28-22-8-6-20(7-9-22)26(34)31-18-21(16-19-4-2-1-3-5-19)27(35)33-14-12-32(13-15-33)23-10-11-24(29)25(30)17-23/h1-11,17,21H,12-16,18H2,(H,31,34).
What are the key properties of N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide has a molecular weight of 530.88 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzamide is sourced from PubChem (CID 24739181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).