1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

C17H19FN2O3 — CID 110904652

IUPAC1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3/c1-12-3-2-4-16(9-12)23-11-15(21)10-19-17(22)20-14-7-5-13(18)6-8-14/h2-9,15,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyBMWLUDGRRCVQHE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.70
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (PubChem CID 110904652) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
PubChem CID110904652
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3/c1-12-3-2-4-16(9-12)23-11-15(21)10-19-17(22)20-14-7-5-13(18)6-8-14/h2-9,15,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyBMWLUDGRRCVQHE-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (CID 110904652) is 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is Cc1cccc(OCC(O)CNC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The InChIKey is BMWLUDGRRCVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-12-3-2-4-16(9-12)23-11-15(21)10-19-17(22)20-14-7-5-13(18)6-8-14/h2-9,15,21H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea has a molecular weight of 318.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is sourced from PubChem (CID 110904652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).