4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide

C18H19F3N2O3 — CID 18428701

IUPAC4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide
SMILESCNC(=O)c1ccc(CN(C)C)c(Oc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O3/c1-22-17(24)12-4-5-13(11-23(2)3)16(10-12)25-14-6-8-15(9-7-14)26-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyLAWNZDUXRFYRRO-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.80
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide

4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 18428701) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide
PubChem CID18428701
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide
SMILESCNC(=O)c1ccc(CN(C)C)c(Oc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O3/c1-22-17(24)12-4-5-13(11-23(2)3)16(10-12)25-14-6-8-15(9-7-14)26-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyLAWNZDUXRFYRRO-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide (CID 18428701) is 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide is CNC(=O)c1ccc(CN(C)C)c(Oc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide?
The InChIKey is LAWNZDUXRFYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-22-17(24)12-4-5-13(11-23(2)3)16(10-12)25-14-6-8-15(9-7-14)26-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide?
4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide has a molecular weight of 368.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-methyl-3-[4-(trifluoromethoxy)phenoxy]benzamide is sourced from PubChem (CID 18428701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).