1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea

C18H14F3N3O2 — CID 10021474

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)16-7-4-11(9-22-16)10-23-17(26)24-15-3-1-2-12-5-6-13(25)8-14(12)15/h1-9,25H,10H2,(H2,23,24,26)
InChIKeyUQVFGXRNKSEESR-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.28
Rot. Bonds3

About 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea

1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea (PubChem CID 10021474) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
PubChem CID10021474
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)16-7-4-11(9-22-16)10-23-17(26)24-15-3-1-2-12-5-6-13(25)8-14(12)15/h1-9,25H,10H2,(H2,23,24,26)
InChIKeyUQVFGXRNKSEESR-UHFFFAOYSA-N
XLogP4.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxyphenyl)methyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 122133943
ethane;1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 143038403
1-[(4-tert-butylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea
CID 11725268
1-isoquinolin-5-yl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 11725098
1-[[3-bromo-4-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea
CID 22032673
1-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 31225510
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
CID 5330590
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-[[4-(difluoromethylsulfanyl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea
CID 68952643
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
CID 71237021

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea (CID 10021474) is 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)nc1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The InChIKey is UQVFGXRNKSEESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)16-7-4-11(9-22-16)10-23-17(26)24-15-3-1-2-12-5-6-13(25)8-14(12)15/h1-9,25H,10H2,(H2,23,24,26).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea has a molecular weight of 361.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 10021474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).