1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea

C15H12ClF3N2O2 — CID 97455774

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12ClF3N2O2/c1-23-11-4-2-3-9(7-11)20-14(22)21-10-5-6-13(16)12(8-10)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyHEOGJZFUBNTVNG-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.01
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 97455774) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID97455774
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12ClF3N2O2/c1-23-11-4-2-3-9(7-11)20-14(22)21-10-5-6-13(16)12(8-10)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyHEOGJZFUBNTVNG-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[3-(3-chloro-4-cyanophenoxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 126674833
1-[3-(4-chlorophthalazin-1-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 155810717
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794657
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-ethynylphenyl)urea
CID 72709540
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]urea
CID 46228792
1-[5-tert-butyl-2-(3-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 162603971
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] trifluoromethanesulfonate
CID 19433252
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea (CID 97455774) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is HEOGJZFUBNTVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-23-11-4-2-3-9(7-11)20-14(22)21-10-5-6-13(16)12(8-10)15(17,18)19/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 344.72 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 97455774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).