2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C19H18F3N3O2 — CID 94915286

IUPAC2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1
InChIInChI=1S/C19H18F3N3O2/c1-24-8-10-25(11-9-24)19(27)12-2-4-13(5-3-12)23-18(26)14-6-7-15(20)17(22)16(14)21/h2-7H,8-11H2,1H3,(H,23,26)
InChIKeyLOMCDMDZVJSCDE-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.74
Rot. Bonds3

About 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 94915286) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID94915286
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1
InChIInChI=1S/C19H18F3N3O2/c1-24-8-10-25(11-9-24)19(27)12-2-4-13(5-3-12)23-18(26)14-6-7-15(20)17(22)16(14)21/h2-7H,8-11H2,1H3,(H,23,26)
InChIKeyLOMCDMDZVJSCDE-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
1H-pyrrol-3-yl-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]methanone
CID 110803209
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 94915286) is 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is LOMCDMDZVJSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24-8-10-25(11-9-24)19(27)12-2-4-13(5-3-12)23-18(26)14-6-7-15(20)17(22)16(14)21/h2-7H,8-11H2,1H3,(H,23,26).
What are the key properties of 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 377.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 94915286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).