bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea

C15H15FN2O2 — CID 174491713

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea
SMILESCCN(C(N)=O)c1cccc(F)c1O.c1cc2cc-2c1
InChIInChI=1S/C9H11FN2O2.C6H4/c1-2-12(9(11)14)7-5-3-4-6(10)8(7)13;1-2-5-4-6(5)3-1/h3-5,13H,2H2,1H3,(H2,11,14);1-4H
InChIKeyMIABAASFTPTCNN-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.10
Rot. Bonds2

About bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea

bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea (PubChem CID 174491713) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea
PubChem CID174491713
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea
SMILESCCN(C(N)=O)c1cccc(F)c1O.c1cc2cc-2c1
InChIInChI=1S/C9H11FN2O2.C6H4/c1-2-12(9(11)14)7-5-3-4-6(10)8(7)13;1-2-5-4-6(5)3-1/h3-5,13H,2H2,1H3,(H2,11,14);1-4H
InChIKeyMIABAASFTPTCNN-UHFFFAOYSA-N
XLogP3.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea with MolForge

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Related Compounds

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CID 57376109
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N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate
CID 78428173
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988
(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
CID 851678
N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide
CID 134096602
bicyclo[3.1.0]hexa-1(6),2,4-triene;N,N-dimethylethanamine
CID 67454574
N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627922
N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
CID 67278413
2-(2-carbamoyl-N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 79513921

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea (CID 174491713) is bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea is CCN(C(N)=O)c1cccc(F)c1O.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea?
The InChIKey is MIABAASFTPTCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2.C6H4/c1-2-12(9(11)14)7-5-3-4-6(10)8(7)13;1-2-5-4-6(5)3-1/h3-5,13H,2H2,1H3,(H2,11,14);1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea?
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea has a molecular weight of 274.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea is sourced from PubChem (CID 174491713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).