1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

C22H25F2N3O3 — CID 86880071

IUPAC1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCCc2c[nH]c3cc(C)ccc23)cc1OC(F)F
InChIInChI=1S/C22H25F2N3O3/c1-14-3-5-17-16(13-27-18(17)11-14)8-10-26-22(28)25-9-7-15-4-6-19(29-2)20(12-15)30-21(23)24/h3-6,11-13,21,27H,7-10H2,1-2H3,(H2,25,26,28)
InChIKeyUARPKGLSKWFDDE-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.17
Rot. Bonds9

About 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86880071) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86880071
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCCc2c[nH]c3cc(C)ccc23)cc1OC(F)F
InChIInChI=1S/C22H25F2N3O3/c1-14-3-5-17-16(13-27-18(17)11-14)8-10-26-22(28)25-9-7-15-4-6-19(29-2)20(12-15)30-21(23)24/h3-6,11-13,21,27H,7-10H2,1-2H3,(H2,25,26,28)
InChIKeyUARPKGLSKWFDDE-UHFFFAOYSA-N
XLogP4.17
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995407
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113083842
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95282179
2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 9482433
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377106
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (CID 86880071) is 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is COc1ccc(CCNC(=O)NCCc2c[nH]c3cc(C)ccc23)cc1OC(F)F.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is UARPKGLSKWFDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-14-3-5-17-16(13-27-18(17)11-14)8-10-26-22(28)25-9-7-15-4-6-19(29-2)20(12-15)30-21(23)24/h3-6,11-13,21,27H,7-10H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 417.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86880071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).