1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea

C18H19ClN2O2 — CID 110904136

IUPAC1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(NC(CO)c1ccccc1)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C18H19ClN2O2/c19-15-8-4-7-14-13(15)9-10-16(14)20-18(23)21-17(11-22)12-5-2-1-3-6-12/h1-8,16-17,22H,9-11H2,(H2,20,21,23)
InChIKeyRJFASXLRRZZVSS-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea

1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110904136) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110904136
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(NC(CO)c1ccccc1)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C18H19ClN2O2/c19-15-8-4-7-14-13(15)9-10-16(14)20-18(23)21-17(11-22)12-5-2-1-3-6-12/h1-8,16-17,22H,9-11H2,(H2,20,21,23)
InChIKeyRJFASXLRRZZVSS-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-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111505257
(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582124
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 97016691
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71886534
1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 98891746

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea (CID 110904136) is 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea is O=C(NC(CO)c1ccccc1)NC1CCc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is RJFASXLRRZZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-8-4-7-14-13(15)9-10-16(14)20-18(23)21-17(11-22)12-5-2-1-3-6-12/h1-8,16-17,22H,9-11H2,(H2,20,21,23).
What are the key properties of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)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-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110904136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).