1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea

C16H16F2N2O2 — CID 111335572

IUPAC1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2N2O2/c1-16(22,11-5-3-2-4-6-11)10-19-15(21)20-12-7-8-13(17)14(18)9-12/h2-9,22H,10H2,1H3,(H2,19,20,21)
InChIKeyRYDPEFCCALPEGQ-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.99
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea

1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335572) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335572
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2N2O2/c1-16(22,11-5-3-2-4-6-11)10-19-15(21)20-12-7-8-13(17)14(18)9-12/h2-9,22H,10H2,1H3,(H2,19,20,21)
InChIKeyRYDPEFCCALPEGQ-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335624
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111335653
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 104780103
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335572) is 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea is CC(O)(CNC(=O)Nc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is RYDPEFCCALPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-16(22,11-5-3-2-4-6-11)10-19-15(21)20-12-7-8-13(17)14(18)9-12/h2-9,22H,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 306.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).