1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea

C19H19Cl2FN2O2 — CID 138591799

IUPAC1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCC1(O)CCc2c1cc(Cl)c(NC(=O)NCCc1ccc(F)cc1)c2Cl
InChIInChI=1S/C19H19Cl2FN2O2/c1-19(26)8-6-13-14(19)10-15(20)17(16(13)21)24-18(25)23-9-7-11-2-4-12(22)5-3-11/h2-5,10,26H,6-9H2,1H3,(H2,23,24,25)
InChIKeyRPDXLGIFKICXRA-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.65
Rot. Bonds4

About 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea

1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 138591799) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID138591799
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCC1(O)CCc2c1cc(Cl)c(NC(=O)NCCc1ccc(F)cc1)c2Cl
InChIInChI=1S/C19H19Cl2FN2O2/c1-19(26)8-6-13-14(19)10-15(20)17(16(13)21)24-18(25)23-9-7-11-2-4-12(22)5-3-11/h2-5,10,26H,6-9H2,1H3,(H2,23,24,25)
InChIKeyRPDXLGIFKICXRA-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

methyl 4-chloro-3-[2-(4-fluorophenyl)ethylcarbamoylamino]benzoate
CID 108989193
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17087741
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980409
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide
CID 146022376
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977536
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea (CID 138591799) is 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea is CC1(O)CCc2c1cc(Cl)c(NC(=O)NCCc1ccc(F)cc1)c2Cl.
What is the InChIKey of 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is RPDXLGIFKICXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c1-19(26)8-6-13-14(19)10-15(20)17(16(13)21)24-18(25)23-9-7-11-2-4-12(22)5-3-11/h2-5,10,26H,6-9H2,1H3,(H2,23,24,25).
What are the key properties of 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 397.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1-hydroxy-1-methyl-2,3-dihydroinden-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 138591799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).