1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea

C21H23F3N2O2 — CID 166200761

IUPAC1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea
SMILESCC1CC1C(NC(=O)NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H23F3N2O2/c1-13-11-17(13)19(15-5-3-2-4-6-15)26-20(28)25-12-18(27)14-7-9-16(10-8-14)21(22,23)24/h2-10,13,17-19,27H,11-12H2,1H3,(H2,25,26,28)
InChIKeyZWKRMOYKFSQBLU-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.44
Rot. Bonds6

About 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea

1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea (PubChem CID 166200761) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea
PubChem CID166200761
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea
SMILESCC1CC1C(NC(=O)NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H23F3N2O2/c1-13-11-17(13)19(15-5-3-2-4-6-15)26-20(28)25-12-18(27)14-7-9-16(10-8-14)21(22,23)24/h2-10,13,17-19,27H,11-12H2,1H3,(H2,25,26,28)
InChIKeyZWKRMOYKFSQBLU-UHFFFAOYSA-N
XLogP4.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
CID 111108610
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 95368190
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea?
The IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea (CID 166200761) is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea is CC1CC1C(NC(=O)NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea?
The InChIKey is ZWKRMOYKFSQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13-11-17(13)19(15-5-3-2-4-6-15)26-20(28)25-12-18(27)14-7-9-16(10-8-14)21(22,23)24/h2-10,13,17-19,27H,11-12H2,1H3,(H2,25,26,28).
What are the key properties of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea?
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea has a molecular weight of 392.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea is sourced from PubChem (CID 166200761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).