1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C16H14ClFN2O2 — CID 110922075

IUPAC1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cccc(Cl)c1F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H14ClFN2O2/c17-11-6-3-7-12(14(11)18)19-16(22)20-15-10-5-2-1-4-9(10)8-13(15)21/h1-7,13,15,21H,8H2,(H2,19,20,22)/t13-,15+/m0/s1
InChIKeyIMDSOFGTKMHRSE-DZGCQCFKSA-N
MW320.75 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110922075) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110922075
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1cccc(Cl)c1F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H14ClFN2O2/c17-11-6-3-7-12(14(11)18)19-16(22)20-15-10-5-2-1-4-9(10)8-13(15)21/h1-7,13,15,21H,8H2,(H2,19,20,22)/t13-,15+/m0/s1
InChIKeyIMDSOFGTKMHRSE-DZGCQCFKSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
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1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110922075) is 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1cccc(Cl)c1F)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is IMDSOFGTKMHRSE-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-11-6-3-7-12(14(11)18)19-16(22)20-15-10-5-2-1-4-9(10)8-13(15)21/h1-7,13,15,21H,8H2,(H2,19,20,22)/t13-,15+/m0/s1.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 320.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110922075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).