1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea

C17H19FN2O — CID 17398492

IUPAC1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
SMILESCCC(C)c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-3-12(2)13-8-10-14(11-9-13)19-17(21)20-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H2,19,20,21)
InChIKeyFNHVUMJSFCTZII-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea

1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea (PubChem CID 17398492) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
PubChem CID17398492
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
SMILESCCC(C)c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-3-12(2)13-8-10-14(11-9-13)19-17(21)20-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H2,19,20,21)
InChIKeyFNHVUMJSFCTZII-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-fluorophenyl)acetamide
CID 2668849
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
1-(4-butan-2-ylphenyl)-3-tert-butylurea
CID 6471062
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea (CID 17398492) is 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea is CCC(C)c1ccc(NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea?
The InChIKey is FNHVUMJSFCTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-12(2)13-8-10-14(11-9-13)19-17(21)20-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea?
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea has a molecular weight of 286.35 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 17398492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).