1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea

C18H19ClN2O2 — CID 110887524

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCC(O)c1ccc(Cl)cc1)NC1CCc2ccccc21
InChIInChI=1S/C18H19ClN2O2/c19-14-8-5-13(6-9-14)17(22)11-20-18(23)21-16-10-7-12-3-1-2-4-15(12)16/h1-6,8-9,16-17,22H,7,10-11H2,(H2,20,21,23)
InChIKeyWSWCOSFOTDLNTG-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 110887524) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
PubChem CID110887524
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCC(O)c1ccc(Cl)cc1)NC1CCc2ccccc21
InChIInChI=1S/C18H19ClN2O2/c19-14-8-5-13(6-9-14)17(22)11-20-18(23)21-16-10-7-12-3-1-2-4-15(12)16/h1-6,8-9,16-17,22H,7,10-11H2,(H2,20,21,23)
InChIKeyWSWCOSFOTDLNTG-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 167754459
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
benzyl (2S)-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-2-methylpropanoate
CID 157035661
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 111386147
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea (CID 110887524) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea is O=C(NCC(O)c1ccc(Cl)cc1)NC1CCc2ccccc21.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is WSWCOSFOTDLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-8-5-13(6-9-14)17(22)11-20-18(23)21-16-10-7-12-3-1-2-4-15(12)16/h1-6,8-9,16-17,22H,7,10-11H2,(H2,20,21,23).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 330.82 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 110887524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).