1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea

C20H23FN2O2 — CID 111435263

IUPAC1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NCC1(c2ccccc2F)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H23FN2O2/c21-18-9-5-4-8-17(18)20(10-11-20)15-22-19(25)23(12-13-24)14-16-6-2-1-3-7-16/h1-9,24H,10-15H2,(H,22,25)
InChIKeyAEXZRFITTWGQPK-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.06
Rot. Bonds7

About 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea (PubChem CID 111435263) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea
PubChem CID111435263
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NCC1(c2ccccc2F)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H23FN2O2/c21-18-9-5-4-8-17(18)20(10-11-20)15-22-19(25)23(12-13-24)14-16-6-2-1-3-7-16/h1-9,24H,10-15H2,(H,22,25)
InChIKeyAEXZRFITTWGQPK-UHFFFAOYSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111105530
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
CID 171338056
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896534
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
CID 71981655

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea (CID 111435263) is 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea is O=C(NCC1(c2ccccc2F)CC1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is AEXZRFITTWGQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-9-5-4-8-17(18)20(10-11-20)15-22-19(25)23(12-13-24)14-16-6-2-1-3-7-16/h1-9,24H,10-15H2,(H,22,25).
What are the key properties of 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 342.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111435263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).