5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C18H19ClFN3O — CID 26709129

IUPAC5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1
InChIInChI=1S/C18H19ClFN3O/c1-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-18(24)16-12-13(19)2-7-17(16)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyZTXMDERBMDSUQH-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.48
Rot. Bonds3

About 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 26709129) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID26709129
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1
InChIInChI=1S/C18H19ClFN3O/c1-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-18(24)16-12-13(19)2-7-17(16)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyZTXMDERBMDSUQH-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.48
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

2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,5-dichlorobenzamide
CID 3619505
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708
2,3,4-trifluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitrobenzamide
CID 110317093
7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 4902176
2,5-dichloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 3971845
3,5-dichloro-2-methoxy-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 3726013
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 26709129) is 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1.
What is the InChIKey of 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ZTXMDERBMDSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-18(24)16-12-13(19)2-7-17(16)20/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 347.82 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 26709129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).