1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea

C15H21FN2O — CID 108911582

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCC(C)(C)/C=C/NC(=O)NCCc1ccccc1F
InChIInChI=1S/C15H21FN2O/c1-15(2,3)9-11-18-14(19)17-10-8-12-6-4-5-7-13(12)16/h4-7,9,11H,8,10H2,1-3H3,(H2,17,18,19)/b11-9+
InChIKeyRYMUYONUPNQPBX-PKNBQFBNSA-N
MW264.34 g/mol
LogP3.23
Rot. Bonds4

About 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108911582) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108911582
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCC(C)(C)/C=C/NC(=O)NCCc1ccccc1F
InChIInChI=1S/C15H21FN2O/c1-15(2,3)9-11-18-14(19)17-10-8-12-6-4-5-7-13(12)16/h4-7,9,11H,8,10H2,1-3H3,(H2,17,18,19)/b11-9+
InChIKeyRYMUYONUPNQPBX-PKNBQFBNSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108916003
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 108911582) is 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea is CC(C)(C)/C=C/NC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is RYMUYONUPNQPBX-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2,3)9-11-18-14(19)17-10-8-12-6-4-5-7-13(12)16/h4-7,9,11H,8,10H2,1-3H3,(H2,17,18,19)/b11-9+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 264.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108911582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).