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

C20H21ClF3N3O2 — CID 55788209

IUPAC5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C20H21ClF3N3O2/c1-26-7-9-27(10-8-26)14-4-5-17(16(12-14)20(22,23)24)25-19(28)15-11-13(21)3-6-18(15)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,25,28)
InChIKeyDWQZQGMGQDDFLA-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.37
Rot. Bonds4

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

5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 55788209) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
PubChem CID55788209
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC Name5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C20H21ClF3N3O2/c1-26-7-9-27(10-8-26)14-4-5-17(16(12-14)20(22,23)24)25-19(28)15-11-13(21)3-6-18(15)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,25,28)
InChIKeyDWQZQGMGQDDFLA-UHFFFAOYSA-N
XLogP4.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 55788114
2-chloro-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-5-methylsulfanylbenzamide
CID 55787776
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788115
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55787869
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide (CID 55788209) is 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DWQZQGMGQDDFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c1-26-7-9-27(10-8-26)14-4-5-17(16(12-14)20(22,23)24)25-19(28)15-11-13(21)3-6-18(15)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide?
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 427.85 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55788209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).