1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea

C15H19F3N2O3 — CID 95774170

IUPAC1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESCc1cc(NC(=O)NC[C@H](O)C2CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-9-6-11(4-5-13(9)23-8-15(16,17)18)20-14(22)19-7-12(21)10-2-3-10/h4-6,10,12,21H,2-3,7-8H2,1H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyWIDDMHMGFLFASH-LBPRGKRZSA-N
MW332.32 g/mol
LogP2.83
Rot. Bonds6

About 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea

1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea (PubChem CID 95774170) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
PubChem CID95774170
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESCc1cc(NC(=O)NC[C@H](O)C2CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-9-6-11(4-5-13(9)23-8-15(16,17)18)20-14(22)19-7-12(21)10-2-3-10/h4-6,10,12,21H,2-3,7-8H2,1H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyWIDDMHMGFLFASH-LBPRGKRZSA-N
XLogP2.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437785
1-(2-methylsulfinylethyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 71992089
2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
CID 111539253
1-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95774172
3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119794829
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926
3-methyl-2-[3-methyl-4-(2,2,2-trifluoroethoxy)anilino]butanoic acid
CID 149436683
5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 136554877
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea?
The IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea (CID 95774170) is 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea is Cc1cc(NC(=O)NC[C@H](O)C2CC2)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea?
The InChIKey is WIDDMHMGFLFASH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-9-6-11(4-5-13(9)23-8-15(16,17)18)20-14(22)19-7-12(21)10-2-3-10/h4-6,10,12,21H,2-3,7-8H2,1H3,(H2,19,20,22)/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea?
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea has a molecular weight of 332.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea is sourced from PubChem (CID 95774170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).