1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea

C17H12F2N2O2 — CID 69013613

IUPAC1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc(F)cc(F)c1O)Nc1cccc2ccccc12
InChIInChI=1S/C17H12F2N2O2/c18-11-8-13(19)16(22)15(9-11)21-17(23)20-14-7-3-5-10-4-1-2-6-12(10)14/h1-9,22H,(H2,20,21,23)
InChIKeyRGXDYUJKIZXKON-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.47
Rot. Bonds2

About 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea

1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea (PubChem CID 69013613) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea
PubChem CID69013613
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc(F)cc(F)c1O)Nc1cccc2ccccc12
InChIInChI=1S/C17H12F2N2O2/c18-11-8-13(19)16(22)15(9-11)21-17(23)20-14-7-3-5-10-4-1-2-6-12(10)14/h1-9,22H,(H2,20,21,23)
InChIKeyRGXDYUJKIZXKON-UHFFFAOYSA-N
XLogP4.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69011660
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9368994

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea (CID 69013613) is 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea is O=C(Nc1cc(F)cc(F)c1O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea?
The InChIKey is RGXDYUJKIZXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-11-8-13(19)16(22)15(9-11)21-17(23)20-14-7-3-5-10-4-1-2-6-12(10)14/h1-9,22H,(H2,20,21,23).
What are the key properties of 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea?
1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea has a molecular weight of 314.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 69013613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).