1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

C18H22FN3O2 — CID 111793440

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H22FN3O2/c19-16-6-4-14(5-7-16)8-10-21-18(24)22-12-15(13-23)11-17-3-1-2-9-20-17/h1-7,9,15,23H,8,10-13H2,(H2,21,22,24)
InChIKeyKIQXVCZXWMOHRK-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.91
Rot. Bonds8

About 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (PubChem CID 111793440) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
PubChem CID111793440
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H22FN3O2/c19-16-6-4-14(5-7-16)8-10-21-18(24)22-12-15(13-23)11-17-3-1-2-9-20-17/h1-7,9,15,23H,8,10-13H2,(H2,21,22,24)
InChIKeyKIQXVCZXWMOHRK-UHFFFAOYSA-N
XLogP1.91
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784540
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
1-[(3-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793779
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111795197
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (CID 111793440) is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is O=C(NCCc1ccc(F)cc1)NCC(CO)Cc1ccccn1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The InChIKey is KIQXVCZXWMOHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-16-6-4-14(5-7-16)8-10-21-18(24)22-12-15(13-23)11-17-3-1-2-9-20-17/h1-7,9,15,23H,8,10-13H2,(H2,21,22,24).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea has a molecular weight of 331.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is sourced from PubChem (CID 111793440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).