N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide

C19H20F3N3O — CID 17444689

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O/c1-24-10-12-25(13-11-24)15-8-6-14(7-9-15)23-18(26)16-4-2-3-5-17(16)19(20,21)22/h2-9H,10-13H2,1H3,(H,23,26)
InChIKeyQOKIZQKWTMEHLD-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.71
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 17444689) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID17444689
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O/c1-24-10-12-25(13-11-24)15-8-6-14(7-9-15)23-18(26)16-4-2-3-5-17(16)19(20,21)22/h2-9H,10-13H2,1H3,(H,23,26)
InChIKeyQOKIZQKWTMEHLD-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.71
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

N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 4898733

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 17444689) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide is CN1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is QOKIZQKWTMEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-24-10-12-25(13-11-24)15-8-6-14(7-9-15)23-18(26)16-4-2-3-5-17(16)19(20,21)22/h2-9H,10-13H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 17444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).