1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea

C18H20FN3O2 — CID 111793378

IUPAC1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H20FN3O2/c19-14-6-4-13(5-7-14)17(23)12-22(16-8-9-16)18(24)21-11-15-3-1-2-10-20-15/h1-7,10,16-17,23H,8-9,11-12H2,(H,21,24)
InChIKeyKMCMFMHPAVPBOV-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.63
Rot. Bonds6

About 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea

1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 111793378) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID111793378
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H20FN3O2/c19-14-6-4-13(5-7-14)17(23)12-22(16-8-9-16)18(24)21-11-15-3-1-2-10-20-15/h1-7,10,16-17,23H,8-9,11-12H2,(H,21,24)
InChIKeyKMCMFMHPAVPBOV-UHFFFAOYSA-N
XLogP2.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111795178
1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111795159
1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
CID 96526448
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide
CID 138016901
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 1031029
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
2-[(2-chloro-3-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111462262
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 95972891
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 97201502

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea (CID 111793378) is 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)N(CC(O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is KMCMFMHPAVPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-6-4-13(5-7-14)17(23)12-22(16-8-9-16)18(24)21-11-15-3-1-2-10-20-15/h1-7,10,16-17,23H,8-9,11-12H2,(H,21,24).
What are the key properties of 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea?
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 329.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 111793378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).