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

C17H17FN2O2 — CID 47070348

IUPAC1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NCc1ccc(F)cc1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H17FN2O2/c18-13-7-5-11(6-8-13)10-19-17(22)20-16-14-4-2-1-3-12(14)9-15(16)21/h1-8,15-16,21H,9-10H2,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyBKJQVYYULHGNLQ-JKSUJKDBSA-N
MW300.33 g/mol
LogP2.28
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 47070348) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID47070348
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NCc1ccc(F)cc1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H17FN2O2/c18-13-7-5-11(6-8-13)10-19-17(22)20-16-14-4-2-1-3-12(14)9-15(16)21/h1-8,15-16,21H,9-10H2,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyBKJQVYYULHGNLQ-JKSUJKDBSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 47070348) is 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(NCc1ccc(F)cc1)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is BKJQVYYULHGNLQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-13-7-5-11(6-8-13)10-19-17(22)20-16-14-4-2-1-3-12(14)9-15(16)21/h1-8,15-16,21H,9-10H2,(H2,19,20,22)/t15-,16+/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 300.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 47070348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).