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

C19H21F3N2O3 — CID 44568379

IUPAC3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide
SMILESCN(C)Cc1cc(C(=O)N(C)C)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-23(2)12-14-11-13(18(25)24(3)4)5-10-17(14)26-15-6-8-16(9-7-15)27-19(20,21)22/h5-11H,12H2,1-4H3
InChIKeyWXULFWHQRUUESN-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.14
Rot. Bonds6

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

3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 44568379) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide
PubChem CID44568379
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide
SMILESCN(C)Cc1cc(C(=O)N(C)C)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-23(2)12-14-11-13(18(25)24(3)4)5-10-17(14)26-15-6-8-16(9-7-15)27-19(20,21)22/h5-11H,12H2,1-4H3
InChIKeyWXULFWHQRUUESN-UHFFFAOYSA-N
XLogP4.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide (CID 44568379) is 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide is CN(C)Cc1cc(C(=O)N(C)C)ccc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide?
The InChIKey is WXULFWHQRUUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-23(2)12-14-11-13(18(25)24(3)4)5-10-17(14)26-15-6-8-16(9-7-15)27-19(20,21)22/h5-11H,12H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide?
3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide has a molecular weight of 382.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N,N-dimethyl-4-[4-(trifluoromethoxy)phenoxy]benzamide is sourced from PubChem (CID 44568379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).