1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

C17H18F2N2O3 — CID 110931993

IUPAC1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-11-3-2-4-14(7-11)24-10-13(22)9-20-17(23)21-16-8-12(18)5-6-15(16)19/h2-8,13,22H,9-10H2,1H3,(H2,20,21,23)
InChIKeyZNPDFQAIMHSNRV-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.83
Rot. Bonds6

About 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (PubChem CID 110931993) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
PubChem CID110931993
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-11-3-2-4-14(7-11)24-10-13(22)9-20-17(23)21-16-8-12(18)5-6-15(16)19/h2-8,13,22H,9-10H2,1H3,(H2,20,21,23)
InChIKeyZNPDFQAIMHSNRV-UHFFFAOYSA-N
XLogP2.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
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-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94031147
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (CID 110931993) is 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is Cc1cccc(OCC(O)CNC(=O)Nc2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The InChIKey is ZNPDFQAIMHSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11-3-2-4-14(7-11)24-10-13(22)9-20-17(23)21-16-8-12(18)5-6-15(16)19/h2-8,13,22H,9-10H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea has a molecular weight of 336.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is sourced from PubChem (CID 110931993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).