1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea

C22H23Cl2N3O — CID 3072916

IUPAC1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
SMILESCn1cc(C2(CNC(=O)Nc3c(Cl)cccc3Cl)CCCC2)c2ccccc21
InChIInChI=1S/C22H23Cl2N3O/c1-27-13-16(15-7-2-3-10-19(15)27)22(11-4-5-12-22)14-25-21(28)26-20-17(23)8-6-9-18(20)24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H2,25,26,28)
InChIKeyCHSJDYFKZBMJEG-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.12
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea

1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea (PubChem CID 3072916) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
PubChem CID3072916
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
SMILESCn1cc(C2(CNC(=O)Nc3c(Cl)cccc3Cl)CCCC2)c2ccccc21
InChIInChI=1S/C22H23Cl2N3O/c1-27-13-16(15-7-2-3-10-19(15)27)22(11-4-5-12-22)14-25-21(28)26-20-17(23)8-6-9-18(20)24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H2,25,26,28)
InChIKeyCHSJDYFKZBMJEG-UHFFFAOYSA-N
XLogP6.12
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea with MolForge

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Related Compounds

2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084942
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
1-methyl-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 154503524
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
CID 10752435
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113084974
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
CID 51055341
1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 54003214
[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea (CID 3072916) is 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea is Cn1cc(C2(CNC(=O)Nc3c(Cl)cccc3Cl)CCCC2)c2ccccc21.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
The InChIKey is CHSJDYFKZBMJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O/c1-27-13-16(15-7-2-3-10-19(15)27)22(11-4-5-12-22)14-25-21(28)26-20-17(23)8-6-9-18(20)24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H2,25,26,28).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea?
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea has a molecular weight of 416.35 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea is sourced from PubChem (CID 3072916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).