1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea

C17H18F3N3O2 — CID 167819700

IUPAC1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCc1cc(N)cc(NC(=O)NCC(O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-10-6-11(21)8-12(7-10)23-16(25)22-9-15(24)13-4-2-3-5-14(13)17(18,19)20/h2-8,15,24H,9,21H2,1H3,(H2,22,23,25)
InChIKeyHVJWRMBIWPDKRB-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.45
Rot. Bonds4

About 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea

1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 167819700) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID167819700
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCc1cc(N)cc(NC(=O)NCC(O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-10-6-11(21)8-12(7-10)23-16(25)22-9-15(24)13-4-2-3-5-14(13)17(18,19)20/h2-8,15,24H,9,21H2,1H3,(H2,22,23,25)
InChIKeyHVJWRMBIWPDKRB-UHFFFAOYSA-N
XLogP3.45
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 167819700) is 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea is Cc1cc(N)cc(NC(=O)NCC(O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is HVJWRMBIWPDKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10-6-11(21)8-12(7-10)23-16(25)22-9-15(24)13-4-2-3-5-14(13)17(18,19)20/h2-8,15,24H,9,21H2,1H3,(H2,22,23,25).
What are the key properties of 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 353.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 167819700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).