1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea

C14H8ClF5N2O — CID 17265299

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H8ClF5N2O/c15-9-3-1-7(14(18,19)20)5-12(9)22-13(23)21-11-4-2-8(16)6-10(11)17/h1-6H,(H2,21,22,23)
InChIKeyIQYJTRVYKRCYBC-UHFFFAOYSA-N
MW350.67 g/mol
LogP5.28
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea (PubChem CID 17265299) has the molecular formula C14H8ClF5N2O and a molecular weight of 350.67 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
PubChem CID17265299
Molecular FormulaC14H8ClF5N2O
Molecular Weight350.67 g/mol
Exact Mass350.02
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H8ClF5N2O/c15-9-3-1-7(14(18,19)20)5-12(9)22-13(23)21-11-4-2-8(16)6-10(11)17/h1-6H,(H2,21,22,23)
InChIKeyIQYJTRVYKRCYBC-UHFFFAOYSA-N
XLogP5.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.67
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17087741
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 59232193
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
CID 2805628

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea (CID 17265299) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is IQYJTRVYKRCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O/c15-9-3-1-7(14(18,19)20)5-12(9)22-13(23)21-11-4-2-8(16)6-10(11)17/h1-6H,(H2,21,22,23).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea?
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 350.67 g/mol, XLogP of 5.28, 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-(2,4-difluorophenyl)urea is sourced from PubChem (CID 17265299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).