1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea

C16H15ClF3N3O2 — CID 154837822

IUPAC1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOCC(NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClF3N3O2/c1-25-9-13(10-3-2-4-11(17)7-10)23-15(24)22-12-5-6-14(21-8-12)16(18,19)20/h2-8,13H,9H2,1H3,(H2,22,23,24)
InChIKeyFSOHFFPHSNVBJE-UHFFFAOYSA-N
MW373.76 g/mol
LogP4.26
Rot. Bonds5

About 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea

1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 154837822) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID154837822
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOCC(NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClF3N3O2/c1-25-9-13(10-3-2-4-11(17)7-10)23-15(24)22-12-5-6-14(21-8-12)16(18,19)20/h2-8,13H,9H2,1H3,(H2,22,23,24)
InChIKeyFSOHFFPHSNVBJE-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
1-[1-(4-fluorophenyl)-2-methoxyethyl]-3-[3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123255433
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111455621
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 99583562
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
CID 107840757
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555095
1-[(3-hydroxyphenyl)methyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 122133943
(2S)-2-amino-2-phenyl-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 104898299
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 106184189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (CID 154837822) is 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is COCC(NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is FSOHFFPHSNVBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-25-9-13(10-3-2-4-11(17)7-10)23-15(24)22-12-5-6-14(21-8-12)16(18,19)20/h2-8,13H,9H2,1H3,(H2,22,23,24).
What are the key properties of 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 373.76 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 154837822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).