1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea

C17H18F3N3O3 — CID 97352904

IUPAC1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H18F3N3O3/c1-10(12-9-11(25-2)7-8-13(12)26-3)21-16(24)23-15-6-4-5-14(22-15)17(18,19)20/h4-10H,1-3H3,(H2,21,22,23,24)/t10-/m1/s1
InChIKeyURGRMOYQHNZYNN-SNVBAGLBSA-N
MW369.34 g/mol
LogP4.00
Rot. Bonds5

About 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea

1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 97352904) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID97352904
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H18F3N3O3/c1-10(12-9-11(25-2)7-8-13(12)26-3)21-16(24)23-15-6-4-5-14(22-15)17(18,19)20/h4-10H,1-3H3,(H2,21,22,23,24)/t10-/m1/s1
InChIKeyURGRMOYQHNZYNN-SNVBAGLBSA-N
XLogP4.00
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 75477403
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
1-[(1S)-1-pyridin-3-ylethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 99604871
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746233
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732147
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2210844
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508228
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55695604

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea (CID 97352904) is 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea is COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is URGRMOYQHNZYNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-10(12-9-11(25-2)7-8-13(12)26-3)21-16(24)23-15-6-4-5-14(22-15)17(18,19)20/h4-10H,1-3H3,(H2,21,22,23,24)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 369.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 97352904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).