1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C17H18F2N2O2 — CID 110924408

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCCc1cc(F)cc(F)c1)NCc1ccccc1CO
InChIInChI=1S/C17H18F2N2O2/c18-15-7-12(8-16(19)9-15)5-6-20-17(23)21-10-13-3-1-2-4-14(13)11-22/h1-4,7-9,22H,5-6,10-11H2,(H2,20,21,23)
InChIKeyQANQDGKBGUKTFV-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 110924408) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID110924408
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCCc1cc(F)cc(F)c1)NCc1ccccc1CO
InChIInChI=1S/C17H18F2N2O2/c18-15-7-12(8-16(19)9-15)5-6-20-17(23)21-10-13-3-1-2-4-14(13)11-22/h1-4,7-9,22H,5-6,10-11H2,(H2,20,21,23)
InChIKeyQANQDGKBGUKTFV-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111751057
1-[2-(3,5-difluorophenyl)ethyl]-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]urea
CID 119047130
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
CID 111477260
1-[2-(3,4-difluorophenoxy)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435092
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924358
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 110924408) is 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is O=C(NCCc1cc(F)cc(F)c1)NCc1ccccc1CO.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is QANQDGKBGUKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-15-7-12(8-16(19)9-15)5-6-20-17(23)21-10-13-3-1-2-4-14(13)11-22/h1-4,7-9,22H,5-6,10-11H2,(H2,20,21,23).
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 320.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110924408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).