N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide

C26H25Cl2N3O2 — CID 3589769

IUPACN-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(Cl)c2)c(C)c1
InChIInChI=1S/C26H25Cl2N3O2/c1-17-3-9-22(18(2)15-17)25(32)29-21-8-10-24(23(28)16-21)30-11-13-31(14-12-30)26(33)19-4-6-20(27)7-5-19/h3-10,15-16H,11-14H2,1-2H3,(H,29,32)
InChIKeyUAYFACWZVBCVOO-UHFFFAOYSA-N
MW482.41 g/mol
LogP5.82
Rot. Bonds4

About N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide

N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide (PubChem CID 3589769) has the molecular formula C26H25Cl2N3O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide
PubChem CID3589769
Molecular FormulaC26H25Cl2N3O2
Molecular Weight482.41 g/mol
Exact Mass481.13
IUPAC NameN-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(Cl)c2)c(C)c1
InChIInChI=1S/C26H25Cl2N3O2/c1-17-3-9-22(18(2)15-17)25(32)29-21-8-10-24(23(28)16-21)30-11-13-31(14-12-30)26(33)19-4-6-20(27)7-5-19/h3-10,15-16H,11-14H2,1-2H3,(H,29,32)
InChIKeyUAYFACWZVBCVOO-UHFFFAOYSA-N
XLogP5.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 55.82
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

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
CID 3338645
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
3-chloro-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 4238469
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
4-[4-[(4-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42678890
N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 4211890
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]naphthalene-2-carboxamide
CID 17111820
2-chloro-5-iodo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1296484
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide (CID 3589769) is N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(Cl)c2)c(C)c1.
What is the InChIKey of N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide?
The InChIKey is UAYFACWZVBCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O2/c1-17-3-9-22(18(2)15-17)25(32)29-21-8-10-24(23(28)16-21)30-11-13-31(14-12-30)26(33)19-4-6-20(27)7-5-19/h3-10,15-16H,11-14H2,1-2H3,(H,29,32).
What are the key properties of N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide?
N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide has a molecular weight of 482.41 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 3589769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).