1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea

C14H13FN2O2 — CID 61497811

IUPAC1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1CO
InChIInChI=1S/C14H13FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-13-4-2-1-3-10(13)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyIPVLGXWWABSHSL-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea

1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea (PubChem CID 61497811) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
PubChem CID61497811
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1CO
InChIInChI=1S/C14H13FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-13-4-2-1-3-10(13)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyIPVLGXWWABSHSL-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
CID 139246694
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
CID 43508295
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea (CID 61497811) is 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccccc1CO.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
The InChIKey is IPVLGXWWABSHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-13-4-2-1-3-10(13)9-18/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea?
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea has a molecular weight of 260.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 61497811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).