1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea

C15H14ClFN2O — CID 71013470

IUPAC1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccccc2Cl)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-2-10-7-8-11(9-13(10)17)18-15(20)19-14-6-4-3-5-12(14)16/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeySPTILYCBWFPKFM-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.69
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea

1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea (PubChem CID 71013470) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
PubChem CID71013470
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccccc2Cl)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-2-10-7-8-11(9-13(10)17)18-15(20)19-14-6-4-3-5-12(14)16/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeySPTILYCBWFPKFM-UHFFFAOYSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16772839
3-[(4-ethyl-3-fluorophenyl)carbamoylamino]propanoic acid
CID 122087500
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea (CID 71013470) is 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea is CCc1ccc(NC(=O)Nc2ccccc2Cl)cc1F.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea?
The InChIKey is SPTILYCBWFPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-2-10-7-8-11(9-13(10)17)18-15(20)19-14-6-4-3-5-12(14)16/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea?
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea has a molecular weight of 292.74 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea is sourced from PubChem (CID 71013470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).