1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea

C17H25FN2O3 — CID 126442561

IUPAC1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea
SMILESO=C(NCC[C@@H]1CCCCO1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c18-15-6-4-14(5-7-15)13-20(10-11-21)17(22)19-9-8-16-3-1-2-12-23-16/h4-7,16,21H,1-3,8-13H2,(H,19,22)/t16-/m0/s1
InChIKeyYJYBSEIFQCKLLN-INIZCTEOSA-N
MW324.40 g/mol
LogP2.29
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea

1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea (PubChem CID 126442561) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea
PubChem CID126442561
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea
SMILESO=C(NCC[C@@H]1CCCCO1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c18-15-6-4-14(5-7-15)13-20(10-11-21)17(22)19-9-8-16-3-1-2-12-23-16/h4-7,16,21H,1-3,8-13H2,(H,19,22)/t16-/m0/s1
InChIKeyYJYBSEIFQCKLLN-INIZCTEOSA-N
XLogP2.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopentylethyl)-1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912931
1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 124615784
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
2-[2-(oxan-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 114135745
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 46994502
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 19119950
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2-[(4-fluorophenoxy)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 42395827

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea (CID 126442561) is 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea is O=C(NCC[C@@H]1CCCCO1)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea?
The InChIKey is YJYBSEIFQCKLLN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25FN2O3/c18-15-6-4-14(5-7-15)13-20(10-11-21)17(22)19-9-8-16-3-1-2-12-23-16/h4-7,16,21H,1-3,8-13H2,(H,19,22)/t16-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea?
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea has a molecular weight of 324.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea is sourced from PubChem (CID 126442561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).