1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea

C14H21FN2O — CID 108888420

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-12(4-2)17-14(18)16-10-9-11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyDYOHOGRGKUFMNP-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.86
Rot. Bonds6

About 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea

1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea (PubChem CID 108888420) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
PubChem CID108888420
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-12(4-2)17-14(18)16-10-9-11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyDYOHOGRGKUFMNP-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 110892453
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea (CID 108888420) is 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea is CCC(CC)NC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea?
The InChIKey is DYOHOGRGKUFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-12(4-2)17-14(18)16-10-9-11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea?
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea has a molecular weight of 252.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea is sourced from PubChem (CID 108888420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).