1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea

C16H17FN2O2 — CID 11716200

IUPAC1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1cccc(NC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-11(2)21-15-8-4-7-14(10-15)19-16(20)18-13-6-3-5-12(17)9-13/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyVQCSZAVFNUVRDD-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea

1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea (PubChem CID 11716200) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
PubChem CID11716200
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1cccc(NC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-11(2)21-15-8-4-7-14(10-15)19-16(20)18-13-6-3-5-12(17)9-13/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyVQCSZAVFNUVRDD-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
3-[3-[(3-propan-2-yloxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122094772
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
CID 38019493
1-[(4-fluorophenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100635319
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174325

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea (CID 11716200) is 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea is CC(C)Oc1cccc(NC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea?
The InChIKey is VQCSZAVFNUVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(2)21-15-8-4-7-14(10-15)19-16(20)18-13-6-3-5-12(17)9-13/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea?
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea has a molecular weight of 288.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 11716200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).