1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea

C18H19F3N2O5 — CID 6975841

IUPAC1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccc(OC[C@H](O)CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O5/c1-26-14-6-8-15(9-7-14)27-11-13(24)10-22-17(25)23-12-2-4-16(5-3-12)28-18(19,20)21/h2-9,13,24H,10-11H2,1H3,(H2,22,23,25)/t13-/m1/s1
InChIKeyAJKQRLHUSKHCJO-CYBMUJFWSA-N
MW400.35 g/mol
LogP3.16
Rot. Bonds8

About 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 6975841) has the molecular formula C18H19F3N2O5 and a molecular weight of 400.35 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID6975841
Molecular FormulaC18H19F3N2O5
Molecular Weight400.35 g/mol
Exact Mass400.12
IUPAC Name1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccc(OC[C@H](O)CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O5/c1-26-14-6-8-15(9-7-14)27-11-13(24)10-22-17(25)23-12-2-4-16(5-3-12)28-18(19,20)21/h2-9,13,24H,10-11H2,1H3,(H2,22,23,25)/t13-/m1/s1
InChIKeyAJKQRLHUSKHCJO-CYBMUJFWSA-N
XLogP3.16
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-[2-methyl-3-(methylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565113
1-(4-amino-2-methylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565179
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 121137397
1-(2-methylpropoxy)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115752914
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
1-butyl-3-[4-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea
CID 129396086
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 6975841) is 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea is COc1ccc(OC[C@H](O)CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is AJKQRLHUSKHCJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F3N2O5/c1-26-14-6-8-15(9-7-14)27-11-13(24)10-22-17(25)23-12-2-4-16(5-3-12)28-18(19,20)21/h2-9,13,24H,10-11H2,1H3,(H2,22,23,25)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 400.35 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 6975841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).