1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea

C14H11F4N3O — CID 71260039

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C14H11F4N3O/c1-8-2-5-12(19-7-8)21-13(22)20-11-6-9(14(16,17)18)3-4-10(11)15/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyXJTKOYNXMYFXHA-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.19
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 71260039) has the molecular formula C14H11F4N3O and a molecular weight of 313.25 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID71260039
Molecular FormulaC14H11F4N3O
Molecular Weight313.25 g/mol
Exact Mass313.08
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C14H11F4N3O/c1-8-2-5-12(19-7-8)21-13(22)20-11-6-9(14(16,17)18)3-4-10(11)15/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyXJTKOYNXMYFXHA-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
CID 141145746
N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide
CID 67329878
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]urea
CID 68720508
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
CID 166404732
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
CID 118535345
1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
CID 18682339
tert-butyl N-[[3-cyano-4-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-2-pyridinyl]amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 67329746
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea (CID 71260039) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)nc1.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is XJTKOYNXMYFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O/c1-8-2-5-12(19-7-8)21-13(22)20-11-6-9(14(16,17)18)3-4-10(11)15/h2-7H,1H3,(H2,19,20,21,22).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 313.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 71260039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).