2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C19H18Cl2IN3O2 — CID 1304777

IUPAC2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl2IN3O2/c1-24-6-8-25(9-7-24)19(27)15-11-13(22)3-5-17(15)23-18(26)14-4-2-12(20)10-16(14)21/h2-5,10-11H,6-9H2,1H3,(H,23,26)
InChIKeyQXRTWIOBWDGZPZ-UHFFFAOYSA-N
MW518.18 g/mol
LogP4.24
Rot. Bonds3

About 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 1304777) has the molecular formula C19H18Cl2IN3O2 and a molecular weight of 518.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID1304777
Molecular FormulaC19H18Cl2IN3O2
Molecular Weight518.18 g/mol
Exact Mass516.98
IUPAC Name2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl2IN3O2/c1-24-6-8-25(9-7-24)19(27)15-11-13(22)3-5-17(15)23-18(26)14-4-2-12(20)10-16(14)21/h2-5,10-11H,6-9H2,1H3,(H,23,26)
InChIKeyQXRTWIOBWDGZPZ-UHFFFAOYSA-N
XLogP4.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.18
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 1289850
N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
CID 1289803
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
azetidin-1-yl-(2-chloro-4-iodophenyl)methanone
CID 172647056
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096766
(2-hydroxy-5-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103600079
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 4937958

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 1304777) is 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is QXRTWIOBWDGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2IN3O2/c1-24-6-8-25(9-7-24)19(27)15-11-13(22)3-5-17(15)23-18(26)14-4-2-12(20)10-16(14)21/h2-5,10-11H,6-9H2,1H3,(H,23,26).
What are the key properties of 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 518.18 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1304777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).