1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C18H18Cl2N2O3 — CID 167754459

IUPAC1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCC(O)c1ccc(Cl)cc1Cl)NC1CCc2ccc(O)cc21
InChIInChI=1S/C18H18Cl2N2O3/c19-11-3-5-13(15(20)7-11)17(24)9-21-18(25)22-16-6-2-10-1-4-12(23)8-14(10)16/h1,3-5,7-8,16-17,23-24H,2,6,9H2,(H2,21,22,25)
InChIKeyBQXLZTUUNSDOKU-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.72
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 167754459) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID167754459
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCC(O)c1ccc(Cl)cc1Cl)NC1CCc2ccc(O)cc21
InChIInChI=1S/C18H18Cl2N2O3/c19-11-3-5-13(15(20)7-11)17(24)9-21-18(25)22-16-6-2-10-1-4-12(23)8-14(10)16/h1,3-5,7-8,16-17,23-24H,2,6,9H2,(H2,21,22,25)
InChIKeyBQXLZTUUNSDOKU-UHFFFAOYSA-N
XLogP3.72
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
CID 119323089
2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide
CID 166231646
cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417
trans-(1R,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701313
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 166243977
(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111970018
2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide
CID 166818260
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 167754459) is 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is O=C(NCC(O)c1ccc(Cl)cc1Cl)NC1CCc2ccc(O)cc21.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is BQXLZTUUNSDOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-11-3-5-13(15(20)7-11)17(24)9-21-18(25)22-16-6-2-10-1-4-12(23)8-14(10)16/h1,3-5,7-8,16-17,23-24H,2,6,9H2,(H2,21,22,25).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 381.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 167754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).