3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea

C16H17FN2O — CID 2242088

IUPAC3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-12(2)19(13-8-4-3-5-9-13)16(20)18-15-11-7-6-10-14(15)17/h3-12H,1-2H3,(H,18,20)
InChIKeyCHLNAHCFCYCKAB-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.27
Rot. Bonds3

About 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea

3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea (PubChem CID 2242088) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
PubChem CID2242088
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-12(2)19(13-8-4-3-5-9-13)16(20)18-15-11-7-6-10-14(15)17/h3-12H,1-2H3,(H,18,20)
InChIKeyCHLNAHCFCYCKAB-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
N-[(2-fluorophenyl)carbamoyl]-2-(N-methylanilino)acetamide
CID 8689408
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 31773500
1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
CID 111430106
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea (CID 2242088) is 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea is CC(C)N(C(=O)Nc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea?
The InChIKey is CHLNAHCFCYCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12(2)19(13-8-4-3-5-9-13)16(20)18-15-11-7-6-10-14(15)17/h3-12H,1-2H3,(H,18,20).
What are the key properties of 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea?
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea has a molecular weight of 272.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 2242088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).