1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

C16H17F2N3O2 — CID 111840646

IUPAC1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
SMILESO=C(NCC(CO)Cc1ccccn1)Nc1cccc(F)c1F
InChIInChI=1S/C16H17F2N3O2/c17-13-5-3-6-14(15(13)18)21-16(23)20-9-11(10-22)8-12-4-1-2-7-19-12/h1-7,11,22H,8-10H2,(H2,20,21,23)
InChIKeyBFZNUUQRQPNKJD-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.33
Rot. Bonds6

About 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (PubChem CID 111840646) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
PubChem CID111840646
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
SMILESO=C(NCC(CO)Cc1ccccn1)Nc1cccc(F)c1F
InChIInChI=1S/C16H17F2N3O2/c17-13-5-3-6-14(15(13)18)21-16(23)20-9-11(10-22)8-12-4-1-2-7-19-12/h1-7,11,22H,8-10H2,(H2,20,21,23)
InChIKeyBFZNUUQRQPNKJD-UHFFFAOYSA-N
XLogP2.33
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.33
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-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793440
3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167999
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
1-[(3-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793779

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (CID 111840646) is 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is O=C(NCC(CO)Cc1ccccn1)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The InChIKey is BFZNUUQRQPNKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-13-5-3-6-14(15(13)18)21-16(23)20-9-11(10-22)8-12-4-1-2-7-19-12/h1-7,11,22H,8-10H2,(H2,20,21,23).
What are the key properties of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea has a molecular weight of 321.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is sourced from PubChem (CID 111840646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).