1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea

C14H13FN2O2 — CID 47297796

IUPAC1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(O)c1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2/c15-11-4-2-5-12(8-11)17-14(19)16-9-10-3-1-6-13(18)7-10/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyBNDDYOAVOXATGW-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea

1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea (PubChem CID 47297796) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea
PubChem CID47297796
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(O)c1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2/c15-11-4-2-5-12(8-11)17-14(19)16-9-10-3-1-6-13(18)7-10/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyBNDDYOAVOXATGW-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea (CID 47297796) is 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea is O=C(NCc1cccc(O)c1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea?
The InChIKey is BNDDYOAVOXATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-4-2-5-12(8-11)17-14(19)16-9-10-3-1-6-13(18)7-10/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea?
1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea has a molecular weight of 260.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(3-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 47297796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).