1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea

C16H16F3N3O3 — CID 48953077

IUPAC1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c1-10-3-2-8-20-14(10)22-15(24)21-9-13(23)11-4-6-12(7-5-11)25-16(17,18)19/h2-8,13,23H,9H2,1H3,(H2,20,21,22,24)
InChIKeyOZOCSPLEGZKSNW-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea

1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 48953077) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID48953077
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c1-10-3-2-8-20-14(10)22-15(24)21-9-13(23)11-4-6-12(7-5-11)25-16(17,18)19/h2-8,13,23H,9H2,1H3,(H2,20,21,22,24)
InChIKeyOZOCSPLEGZKSNW-UHFFFAOYSA-N
XLogP3.14
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94773819
1-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94744564
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea (CID 48953077) is 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)NCC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is OZOCSPLEGZKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10-3-2-8-20-14(10)22-15(24)21-9-13(23)11-4-6-12(7-5-11)25-16(17,18)19/h2-8,13,23H,9H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 355.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 48953077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).