2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide

C22H24F2N4O4 — CID 56566383

IUPAC2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(CNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1OC(F)F
InChIInChI=1S/C22H24F2N4O4/c1-27(2)20(29)13-28-9-8-15-11-16(5-6-17(15)28)26-22(30)25-12-14-4-7-18(31-3)19(10-14)32-21(23)24/h4-11,21H,12-13H2,1-3H3,(H2,25,26,30)
InChIKeyPTXQIJVHMXOGSR-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.66
Rot. Bonds8

About 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide

2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 56566383) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
PubChem CID56566383
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(CNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1OC(F)F
InChIInChI=1S/C22H24F2N4O4/c1-27(2)20(29)13-28-9-8-15-11-16(5-6-17(15)28)26-22(30)25-12-14-4-7-18(31-3)19(10-14)32-21(23)24/h4-11,21H,12-13H2,1-3H3,(H2,25,26,30)
InChIKeyPTXQIJVHMXOGSR-UHFFFAOYSA-N
XLogP3.66
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
CID 56566444
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
CID 121239700
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
CID 38326796
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
CID 51128772
1-(cyclopentylmethyl)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 86869175

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide (CID 56566383) is 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide is COc1ccc(CNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1OC(F)F.
What is the InChIKey of 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is PTXQIJVHMXOGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c1-27(2)20(29)13-28-9-8-15-11-16(5-6-17(15)28)26-22(30)25-12-14-4-7-18(31-3)19(10-14)32-21(23)24/h4-11,21H,12-13H2,1-3H3,(H2,25,26,30).
What are the key properties of 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 446.45 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56566383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).