1-[2-(3-fluorophenyl)ethyl]-1-methylurea

C10H13FN2O — CID 115168709

IUPAC1-[2-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCN(CCc1cccc(F)c1)C(N)=O
InChIInChI=1S/C10H13FN2O/c1-13(10(12)14)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3,(H2,12,14)
InChIKeySNKHLMMIFFWJNM-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.38
Rot. Bonds3

About 1-[2-(3-fluorophenyl)ethyl]-1-methylurea

1-[2-(3-fluorophenyl)ethyl]-1-methylurea (PubChem CID 115168709) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-1-methylurea
PubChem CID115168709
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCN(CCc1cccc(F)c1)C(N)=O
InChIInChI=1S/C10H13FN2O/c1-13(10(12)14)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3,(H2,12,14)
InChIKeySNKHLMMIFFWJNM-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 115123467
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-1-methylurea (CID 115168709) is 1-[2-(3-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-1-methylurea is CN(CCc1cccc(F)c1)C(N)=O.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is SNKHLMMIFFWJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13(10(12)14)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3,(H2,12,14).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-1-methylurea?
1-[2-(3-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 196.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).