4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide

C26H24Cl3N3O — CID 66854855

IUPAC4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl3N3O/c27-21-7-3-19(4-8-21)2-1-13-31-14-16-32(17-15-31)25-18-23(29)11-12-24(25)30-26(33)20-5-9-22(28)10-6-20/h1-12,18H,13-17H2,(H,30,33)
InChIKeyIPQAPCXVCHISGX-UHFFFAOYSA-N
MW500.86 g/mol
LogP6.73
Rot. Bonds6

About 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide

4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide (PubChem CID 66854855) has the molecular formula C26H24Cl3N3O and a molecular weight of 500.86 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide
PubChem CID66854855
Molecular FormulaC26H24Cl3N3O
Molecular Weight500.86 g/mol
Exact Mass499.10
IUPAC Name4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl3N3O/c27-21-7-3-19(4-8-21)2-1-13-31-14-16-32(17-15-31)25-18-23(29)11-12-24(25)30-26(33)20-5-9-22(28)10-6-20/h1-12,18H,13-17H2,(H,30,33)
InChIKeyIPQAPCXVCHISGX-UHFFFAOYSA-N
XLogP6.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-fluoro-2-[4-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]pyridine-4-carboxamide
CID 59511623
2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide
CID 59511644
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 66592694
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915172
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 126798500
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119043152
2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide
CID 76593183
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 3993483
N-[6-bromo-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-5-fluoro-3-pyridinyl]-2-chloropyridine-4-carboxamide
CID 58201596
N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide (CID 66854855) is 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide?
The InChIKey is IPQAPCXVCHISGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl3N3O/c27-21-7-3-19(4-8-21)2-1-13-31-14-16-32(17-15-31)25-18-23(29)11-12-24(25)30-26(33)20-5-9-22(28)10-6-20/h1-12,18H,13-17H2,(H,30,33).
What are the key properties of 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide?
4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide has a molecular weight of 500.86 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 66854855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).