N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

C27H28F3N3O2 — CID 18960617

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)cc1N1CCN(C)CC1
InChIInChI=1S/C27H28F3N3O2/c1-18-16-20(6-10-23(18)19-4-7-21(8-5-19)27(28,29)30)26(34)31-22-9-11-25(35-3)24(17-22)33-14-12-32(2)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,34)
InChIKeyHARYNRAMIUKHKU-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.69
Rot. Bonds5

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 18960617) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID18960617
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)cc1N1CCN(C)CC1
InChIInChI=1S/C27H28F3N3O2/c1-18-16-20(6-10-23(18)19-4-7-21(8-5-19)27(28,29)30)26(34)31-22-9-11-25(35-3)24(17-22)33-14-12-32(2)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,34)
InChIKeyHARYNRAMIUKHKU-UHFFFAOYSA-N
XLogP5.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3038495
CID 3038495
CID 3038494
CID 3038494
CID 4302960
CID 4302960
CID 13318472
CID 13318472
CID 23648320
CID 23648320
CID 23648321
CID 23648321
CID 23648328
CID 23648328
CID 9846928
CID 9846928
CID 10718709
CID 10718709
CID 10939167
CID 10939167
CID 11676873
CID 11676873
CID 13318464
CID 13318464

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 18960617) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HARYNRAMIUKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-18-16-20(6-10-23(18)19-4-7-21(8-5-19)27(28,29)30)26(34)31-22-9-11-25(35-3)24(17-22)33-14-12-32(2)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,34).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 483.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 18960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).