1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea

C17H18F2N2O2 — CID 167753162

IUPAC1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea
SMILESCC(F)(F)c1cccc(CNC(=O)Nc2ccc(CO)cc2)c1
InChIInChI=1S/C17H18F2N2O2/c1-17(18,19)14-4-2-3-13(9-14)10-20-16(23)21-15-7-5-12(11-22)6-8-15/h2-9,22H,10-11H2,1H3,(H2,20,21,23)
InChIKeyUSDROYBIPMHTHP-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.61
Rot. Bonds5

About 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea

1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea (PubChem CID 167753162) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea
PubChem CID167753162
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea
SMILESCC(F)(F)c1cccc(CNC(=O)Nc2ccc(CO)cc2)c1
InChIInChI=1S/C17H18F2N2O2/c1-17(18,19)14-4-2-3-13(9-14)10-20-16(23)21-15-7-5-12(11-22)6-8-15/h2-9,22H,10-11H2,1H3,(H2,20,21,23)
InChIKeyUSDROYBIPMHTHP-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684912
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3,5-ditert-butylphenyl)-3-[4-(hydroxymethyl)phenyl]urea
CID 102226044
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108897076
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870224
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea (CID 167753162) is 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea is CC(F)(F)c1cccc(CNC(=O)Nc2ccc(CO)cc2)c1.
What is the InChIKey of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea?
The InChIKey is USDROYBIPMHTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-17(18,19)14-4-2-3-13(9-14)10-20-16(23)21-15-7-5-12(11-22)6-8-15/h2-9,22H,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea?
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea has a molecular weight of 320.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 167753162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).