N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide

C22H27F3N4O4 — CID 10434776

IUPACN-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C22H27F3N4O4/c1-4-29(5-2)13-12-26-20(30)18-11-8-16(14-19(18)32-3)28-21(31)27-15-6-9-17(10-7-15)33-22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyCYQHDGVGYUKXFU-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.31
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide

N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide (PubChem CID 10434776) has the molecular formula C22H27F3N4O4 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
PubChem CID10434776
Molecular FormulaC22H27F3N4O4
Molecular Weight468.48 g/mol
Exact Mass468.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C22H27F3N4O4/c1-4-29(5-2)13-12-26-20(30)18-11-8-16(14-19(18)32-3)28-21(31)27-15-6-9-17(10-7-15)33-22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyCYQHDGVGYUKXFU-UHFFFAOYSA-N
XLogP4.31
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide (CID 10434776) is N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
The InChIKey is CYQHDGVGYUKXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O4/c1-4-29(5-2)13-12-26-20(30)18-11-8-16(14-19(18)32-3)28-21(31)27-15-6-9-17(10-7-15)33-22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide has a molecular weight of 468.48 g/mol, XLogP of 4.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 10434776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).