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

C19H21FN2O3 — CID 97225938

IUPAC1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1cccc2c1CC[C@H]2NC(=O)NC[C@@H](O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-25-18-8-4-6-12-13(18)9-10-16(12)22-19(24)21-11-17(23)14-5-2-3-7-15(14)20/h2-8,16-17,23H,9-11H2,1H3,(H2,21,22,24)/t16-,17-/m1/s1
InChIKeyCTASPPNKRPZCCL-IAGOWNOFSA-N
MW344.39 g/mol
LogP2.85
Rot. Bonds5

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

1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 97225938) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID97225938
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1cccc2c1CC[C@H]2NC(=O)NC[C@@H](O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-25-18-8-4-6-12-13(18)9-10-16(12)22-19(24)21-11-17(23)14-5-2-3-7-15(14)20/h2-8,16-17,23H,9-11H2,1H3,(H2,21,22,24)/t16-,17-/m1/s1
InChIKeyCTASPPNKRPZCCL-IAGOWNOFSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-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

Related Compounds

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 110911373
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087378
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
CID 52991200
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087383
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea (CID 97225938) is 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea is COc1cccc2c1CC[C@H]2NC(=O)NC[C@@H](O)c1ccccc1F.
What is the InChIKey of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is CTASPPNKRPZCCL-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-18-8-4-6-12-13(18)9-10-16(12)22-19(24)21-11-17(23)14-5-2-3-7-15(14)20/h2-8,16-17,23H,9-11H2,1H3,(H2,21,22,24)/t16-,17-/m1/s1.
What are the key properties of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 344.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 97225938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).