pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid

C14H11F3N2O2 — CID 66996492

IUPACpyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(Cc1ccncc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19(13(20)21)9-10-4-6-18-7-5-10/h1-8H,9H2,(H,20,21)
InChIKeyGWUZITWMNPOSQE-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.79
Rot. Bonds3

About pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid

pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 66996492) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Namepyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
PubChem CID66996492
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Namepyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(Cc1ccncc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19(13(20)21)9-10-4-6-18-7-5-10/h1-8H,9H2,(H,20,21)
InChIKeyGWUZITWMNPOSQE-UHFFFAOYSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 158988561
2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53416837
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 69133595
2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22499162
(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid
CID 154485820
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 54505317
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid (CID 66996492) is pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid is O=C(O)N(Cc1ccncc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is GWUZITWMNPOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19(13(20)21)9-10-4-6-18-7-5-10/h1-8H,9H2,(H,20,21).
What are the key properties of pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid?
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 296.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 66996492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).