N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide

C19H19F2N3O2 — CID 109046211

IUPACN-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)Nc3c(F)cccc3F)cc2)CC1
InChIInChI=1S/C19H19F2N3O2/c1-23-9-11-24(12-10-23)19(26)14-7-5-13(6-8-14)18(25)22-17-15(20)3-2-4-16(17)21/h2-8H,9-12H2,1H3,(H,22,25)
InChIKeyRLAWENYWJOQFNS-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.60
Rot. Bonds3

About N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide

N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109046211) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109046211
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)Nc3c(F)cccc3F)cc2)CC1
InChIInChI=1S/C19H19F2N3O2/c1-23-9-11-24(12-10-23)19(26)14-7-5-13(6-8-14)18(25)22-17-15(20)3-2-4-16(17)21/h2-8H,9-12H2,1H3,(H,22,25)
InChIKeyRLAWENYWJOQFNS-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311
N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109055372
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109046211) is N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2ccc(C(=O)Nc3c(F)cccc3F)cc2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is RLAWENYWJOQFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-23-9-11-24(12-10-23)19(26)14-7-5-13(6-8-14)18(25)22-17-15(20)3-2-4-16(17)21/h2-8H,9-12H2,1H3,(H,22,25).
What are the key properties of N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 359.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).