1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea

C18H16ClF3N2O2 — CID 54584539

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCc2ccc(O)cc21
InChIInChI=1S/C18H16ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h4-9,16,25H,1-3H2,(H2,23,24,26)
InChIKeyOCTZUVJXHMADFN-UHFFFAOYSA-N
MW384.79 g/mol
LogP5.26
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 54584539) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID54584539
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCc2ccc(O)cc21
InChIInChI=1S/C18H16ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h4-9,16,25H,1-3H2,(H2,23,24,26)
InChIKeyOCTZUVJXHMADFN-UHFFFAOYSA-N
XLogP5.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.79
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
3-(5-Chloro-2-methylphenyl)-1-(7-hydroxynaphthalen-1-yl)urea
CID 307545
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethyl-benzyl)-urea
CID 10089889
1-[2-(3,4-Dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea
CID 10474580
1-(7-Hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 310417
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 10134409
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2-chloro-7-hydroxynaphthalen-1-yl)urea
CID 10158754
1-(7-Hydroxynaphthalen-1-yl)-3-(2-(trifluoromethyl)phenyl)urea
CID 54581568
1-(3-Chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581578
1-(2,4-Dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581581
1-(3,4-Dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-(4-Chloro-2-(trifluoromethyl)phenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581583

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 54584539) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCc2ccc(O)cc21.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is OCTZUVJXHMADFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h4-9,16,25H,1-3H2,(H2,23,24,26).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 384.79 g/mol, XLogP of 5.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 54584539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).