1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea

C19H21F3N2O4 — CID 146131380

IUPAC1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea
SMILESCOc1cccc(C(CO)NC(=O)NCCc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O4/c1-27-15-7-4-6-14(11-15)16(12-25)24-18(26)23-10-9-13-5-2-3-8-17(13)28-19(20,21)22/h2-8,11,16,25H,9-10,12H2,1H3,(H2,23,24,26)
InChIKeySSGRSUVBDJEIMA-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.17
Rot. Bonds8

About 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea

1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea (PubChem CID 146131380) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea
PubChem CID146131380
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea
SMILESCOc1cccc(C(CO)NC(=O)NCCc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O4/c1-27-15-7-4-6-14(11-15)16(12-25)24-18(26)23-10-9-13-5-2-3-8-17(13)28-19(20,21)22/h2-8,11,16,25H,9-10,12H2,1H3,(H2,23,24,26)
InChIKeySSGRSUVBDJEIMA-UHFFFAOYSA-N
XLogP3.17
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 138015020
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 111454117
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea (CID 146131380) is 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea is COc1cccc(C(CO)NC(=O)NCCc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea?
The InChIKey is SSGRSUVBDJEIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-27-15-7-4-6-14(11-15)16(12-25)24-18(26)23-10-9-13-5-2-3-8-17(13)28-19(20,21)22/h2-8,11,16,25H,9-10,12H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea?
1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea has a molecular weight of 398.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[2-[2-(trifluoromethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 146131380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).