2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

C18H19Cl2FN4O — CID 55742565

IUPAC2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCN1CCN(c2cc(CNC(=O)c3cc(F)c(Cl)cc3Cl)ccn2)CC1
InChIInChI=1S/C18H19Cl2FN4O/c1-24-4-6-25(7-5-24)17-8-12(2-3-22-17)11-23-18(26)13-9-16(21)15(20)10-14(13)19/h2-3,8-10H,4-7,11H2,1H3,(H,23,26)
InChIKeyNWDCYSXZNNKWOU-UHFFFAOYSA-N
MW397.28 g/mol
LogP3.21
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide

2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 55742565) has the molecular formula C18H19Cl2FN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
PubChem CID55742565
Molecular FormulaC18H19Cl2FN4O
Molecular Weight397.28 g/mol
Exact Mass396.09
IUPAC Name2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCN1CCN(c2cc(CNC(=O)c3cc(F)c(Cl)cc3Cl)ccn2)CC1
InChIInChI=1S/C18H19Cl2FN4O/c1-24-4-6-25(7-5-24)17-8-12(2-3-22-17)11-23-18(26)13-9-16(21)15(20)10-14(13)19/h2-3,8-10H,4-7,11H2,1H3,(H,23,26)
InChIKeyNWDCYSXZNNKWOU-UHFFFAOYSA-N
XLogP3.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
1-(4-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
CID 78880112
1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55912385
1-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 131960881
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686
2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55911620

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide (CID 55742565) is 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is CN1CCN(c2cc(CNC(=O)c3cc(F)c(Cl)cc3Cl)ccn2)CC1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
The InChIKey is NWDCYSXZNNKWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN4O/c1-24-4-6-25(7-5-24)17-8-12(2-3-22-17)11-23-18(26)13-9-16(21)15(20)10-14(13)19/h2-3,8-10H,4-7,11H2,1H3,(H,23,26).
What are the key properties of 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide?
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 397.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55742565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).