N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide

C22H23F3N4O3 — CID 56566444

IUPACN,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)ccc21
InChIInChI=1S/C22H23F3N4O3/c1-28(2)20(30)13-29-9-8-16-11-17(6-7-19(16)29)27-21(31)26-12-15-4-3-5-18(10-15)32-14-22(23,24)25/h3-11H,12-14H2,1-2H3,(H2,26,27,31)
InChIKeyHGQRHVZQXVABFC-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.99
Rot. Bonds7

About N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide

N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide (PubChem CID 56566444) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
PubChem CID56566444
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)ccc21
InChIInChI=1S/C22H23F3N4O3/c1-28(2)20(30)13-29-9-8-16-11-17(6-7-19(16)29)27-21(31)26-12-15-4-3-5-18(10-15)32-14-22(23,24)25/h3-11H,12-14H2,1-2H3,(H2,26,27,31)
InChIKeyHGQRHVZQXVABFC-UHFFFAOYSA-N
XLogP3.99
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566383
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55744578
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 51130467
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 47034671
1-[2-(2-methoxyethoxy)phenyl]-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 86841804
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
CID 56566221
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide (CID 56566444) is N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide is CN(C)C(=O)Cn1ccc2cc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)ccc21.
What is the InChIKey of N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide?
The InChIKey is HGQRHVZQXVABFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-28(2)20(30)13-29-9-8-16-11-17(6-7-19(16)29)27-21(31)26-12-15-4-3-5-18(10-15)32-14-22(23,24)25/h3-11H,12-14H2,1-2H3,(H2,26,27,31).
What are the key properties of N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide?
N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide has a molecular weight of 448.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 56566444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).