N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide

C24H21Cl2N3O2 — CID 1337040

IUPACN-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl2N3O2/c25-21-11-6-18(16-22(21)26)23(30)27-19-7-9-20(10-8-19)28-12-14-29(15-13-28)24(31)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,27,30)
InChIKeyLFBAPUBCEPCDPW-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.21
Rot. Bonds4

About N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide (PubChem CID 1337040) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
PubChem CID1337040
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl2N3O2/c25-21-11-6-18(16-22(21)26)23(30)27-19-7-9-20(10-8-19)28-12-14-29(15-13-28)24(31)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,27,30)
InChIKeyLFBAPUBCEPCDPW-UHFFFAOYSA-N
XLogP5.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951
3-chloro-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 4238469
3,4-dichloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzamide
CID 112981690
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1338039
3-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 17050618
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]naphthalene-2-carboxamide
CID 17111820
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 1056355
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 17117860
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide (CID 1337040) is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide?
The InChIKey is LFBAPUBCEPCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c25-21-11-6-18(16-22(21)26)23(30)27-19-7-9-20(10-8-19)28-12-14-29(15-13-28)24(31)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,27,30).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide?
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide has a molecular weight of 454.36 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 1337040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).