1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea

C17H20FN3O2 — CID 95316769

IUPAC1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESC[C@@H](NC(=O)NCCc1ccccn1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-12(16(22)13-5-7-14(18)8-6-13)21-17(23)20-11-9-15-4-2-3-10-19-15/h2-8,10,12,16,22H,9,11H2,1H3,(H2,20,21,23)/t12-,16+/m1/s1
InChIKeyWLSPXHLNRLWYCJ-WBMJQRKESA-N
MW317.36 g/mol
LogP2.18
Rot. Bonds6

About 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea

1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 95316769) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID95316769
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESC[C@@H](NC(=O)NCCc1ccccn1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-12(16(22)13-5-7-14(18)8-6-13)21-17(23)20-11-9-15-4-2-3-10-19-15/h2-8,10,12,16,22H,9,11H2,1H3,(H2,20,21,23)/t12-,16+/m1/s1
InChIKeyWLSPXHLNRLWYCJ-WBMJQRKESA-N
XLogP2.18
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-(4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 110296265
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 42695951

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea (CID 95316769) is 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea is C[C@@H](NC(=O)NCCc1ccccn1)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is WLSPXHLNRLWYCJ-WBMJQRKESA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12(16(22)13-5-7-14(18)8-6-13)21-17(23)20-11-9-15-4-2-3-10-19-15/h2-8,10,12,16,22H,9,11H2,1H3,(H2,20,21,23)/t12-,16+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 317.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 95316769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).