1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea

C20H25FN2O3 — CID 95772319

IUPAC1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
SMILESCOc1cccc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H25FN2O3/c1-14(2)12-23(13-19(24)15-7-9-16(21)10-8-15)20(25)22-17-5-4-6-18(11-17)26-3/h4-11,14,19,24H,12-13H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyQXUNPVOQIIUQEW-LJQANCHMSA-N
MW360.43 g/mol
LogP4.06
Rot. Bonds7

About 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea

1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea (PubChem CID 95772319) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
PubChem CID95772319
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
SMILESCOc1cccc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H25FN2O3/c1-14(2)12-23(13-19(24)15-7-9-16(21)10-8-15)20(25)22-17-5-4-6-18(11-17)26-3/h4-11,14,19,24H,12-13H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyQXUNPVOQIIUQEW-LJQANCHMSA-N
XLogP4.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-(2-methylpropyl)urea
CID 95772315
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 47023736
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
[3-[[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5047777
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
CID 95301553
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 97082451
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea (CID 95772319) is 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea is COc1cccc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
The InChIKey is QXUNPVOQIIUQEW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-14(2)12-23(13-19(24)15-7-9-16(21)10-8-15)20(25)22-17-5-4-6-18(11-17)26-3/h4-11,14,19,24H,12-13H2,1-3H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea has a molecular weight of 360.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 95772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).