1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea

C21H23FN2O2 — CID 66550053

IUPAC1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea
SMILESO=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C21H23FN2O2/c22-19-6-2-1-5-17(19)14-8-9-15(10-14)23-21(26)24-20-7-3-4-13-11-16(25)12-18(13)20/h1-7,14-16,25H,8-12H2,(H2,23,24,26)/t14-,15+,16-/m1/s1
InChIKeyCWCHZORHHWEPPM-OWCLPIDISA-N
MW354.42 g/mol
LogP3.74
Rot. Bonds3

About 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea

1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 66550053) has the molecular formula C21H23FN2O2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

Compound Name1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea
PubChem CID66550053
Molecular FormulaC21H23FN2O2
Molecular Weight354.42 g/mol
Exact Mass354.17
IUPAC Name1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea
SMILESO=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C21H23FN2O2/c22-19-6-2-1-5-17(19)14-8-9-15(10-14)23-21(26)24-20-7-3-4-13-11-16(25)12-18(13)20/h1-7,14-16,25H,8-12H2,(H2,23,24,26)/t14-,15+,16-/m1/s1
InChIKeyCWCHZORHHWEPPM-OWCLPIDISA-N
XLogP3.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea?
The IUPAC name of 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea (CID 66550053) is 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea.
What is the SMILES notation for 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea?
The canonical SMILES for 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea is O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1.
What is the InChIKey of 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea?
The InChIKey is CWCHZORHHWEPPM-OWCLPIDISA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-6-2-1-5-17(19)14-8-9-15(10-14)23-21(26)24-20-7-3-4-13-11-16(25)12-18(13)20/h1-7,14-16,25H,8-12H2,(H2,23,24,26)/t14-,15+,16-/m1/s1.
What are the key properties of 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea?
1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 354.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 66550053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).