1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C15H9ClF6N2O — CID 4173499

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H9ClF6N2O/c16-11-5-4-9(15(20,21)22)7-12(11)24-13(25)23-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H2,23,24,25)
InChIKeyALGZBKPIWXPUKD-UHFFFAOYSA-N
MW382.69 g/mol
LogP6.02
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 4173499) has the molecular formula C15H9ClF6N2O and a molecular weight of 382.69 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID4173499
Molecular FormulaC15H9ClF6N2O
Molecular Weight382.69 g/mol
Exact Mass382.03
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H9ClF6N2O/c16-11-5-4-9(15(20,21)22)7-12(11)24-13(25)23-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H2,23,24,25)
InChIKeyALGZBKPIWXPUKD-UHFFFAOYSA-N
XLogP6.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10109069
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 17265299
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-[imidazol-1-yl(pyridin-4-yl)methyl]phenyl]urea
CID 91047795

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 4173499) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ALGZBKPIWXPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF6N2O/c16-11-5-4-9(15(20,21)22)7-12(11)24-13(25)23-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H2,23,24,25).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 382.69 g/mol, XLogP of 6.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4173499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).