4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide

C24H20Cl3N3O2 — CID 1489362

IUPAC4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl3N3O2/c25-18-5-1-16(2-6-18)23(31)28-21-15-20(27)9-10-22(21)29-11-13-30(14-12-29)24(32)17-3-7-19(26)8-4-17/h1-10,15H,11-14H2,(H,28,31)
InChIKeyIVXHHOZHTKMEGH-UHFFFAOYSA-N
MW488.80 g/mol
LogP5.86
Rot. Bonds4

About 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide

4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1489362) has the molecular formula C24H20Cl3N3O2 and a molecular weight of 488.80 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1489362
Molecular FormulaC24H20Cl3N3O2
Molecular Weight488.80 g/mol
Exact Mass487.06
IUPAC Name4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl3N3O2/c25-18-5-1-16(2-6-18)23(31)28-21-15-20(27)9-10-22(21)29-11-13-30(14-12-29)24(32)17-3-7-19(26)8-4-17/h1-10,15H,11-14H2,(H,28,31)
InChIKeyIVXHHOZHTKMEGH-UHFFFAOYSA-N
XLogP5.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 3993483
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 17066104
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 3526541
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide (CID 1489362) is 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is IVXHHOZHTKMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O2/c25-18-5-1-16(2-6-18)23(31)28-21-15-20(27)9-10-22(21)29-11-13-30(14-12-29)24(32)17-3-7-19(26)8-4-17/h1-10,15H,11-14H2,(H,28,31).
What are the key properties of 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 488.80 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1489362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).