1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea

C28H25FN2O2 — CID 22258314

IUPAC1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2ccc(O)cc12)NC1CCc2cc(F)ccc2C1Cc1ccccc1
InChIInChI=1S/C28H25FN2O2/c29-21-11-13-23-20(16-21)10-14-27(25(23)15-18-5-2-1-3-6-18)31-28(33)30-26-8-4-7-19-9-12-22(32)17-24(19)26/h1-9,11-13,16-17,25,27,32H,10,14-15H2,(H2,30,31,33)
InChIKeyKYISHYYYZCSRMA-UHFFFAOYSA-N
MW440.52 g/mol
LogP6.15
Rot. Bonds4

About 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea

1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 22258314) has the molecular formula C28H25FN2O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID22258314
Molecular FormulaC28H25FN2O2
Molecular Weight440.52 g/mol
Exact Mass440.19
IUPAC Name1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2ccc(O)cc12)NC1CCc2cc(F)ccc2C1Cc1ccccc1
InChIInChI=1S/C28H25FN2O2/c29-21-11-13-23-20(16-21)10-14-27(25(23)15-18-5-2-1-3-6-18)31-28(33)30-26-8-4-7-19-9-12-22(32)17-24(19)26/h1-9,11-13,16-17,25,27,32H,10,14-15H2,(H2,30,31,33)
InChIKeyKYISHYYYZCSRMA-UHFFFAOYSA-N
XLogP6.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydro-1H-perimidin-2-yl)-naphthalen-2-ol
CID 668468
N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
Diarylurea deriv. 1a
CID 5330587
1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethyl-benzyl)-urea
CID 10089889
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethoxy-benzyl)-urea
CID 10090920
1-[[2-[4-Benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-(7-hydroxynaphthalen-1-yl)urea
CID 155535201
1-(7-Hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 310417
1-(7-Hydroxynaphthalen-1-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 10291273
Pcmd-CC-pab-239
CID 16738603
1-(7-Hydroxynaphthalen-1-yl)-3-(2-(trifluoromethyl)phenyl)urea
CID 54581568
1-(7-Hydroxynaphthalen-1-yl)-3-m-tolylurea
CID 54581579

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea (CID 22258314) is 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1cccc2ccc(O)cc12)NC1CCc2cc(F)ccc2C1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is KYISHYYYZCSRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O2/c29-21-11-13-23-20(16-21)10-14-27(25(23)15-18-5-2-1-3-6-18)31-28(33)30-26-8-4-7-19-9-12-22(32)17-24(19)26/h1-9,11-13,16-17,25,27,32H,10,14-15H2,(H2,30,31,33).
What are the key properties of 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea?
1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 440.52 g/mol, XLogP of 6.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 22258314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).