1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea

C18H19FN2O — CID 113216919

IUPAC1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
SMILESO=C(NCc1ccccc1F)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H19FN2O/c19-16-10-5-4-7-14(16)13-20-17(22)21-18(11-6-12-18)15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2,(H2,20,21,22)
InChIKeyPQSVADRLMHTLLT-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.70
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea

1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea (PubChem CID 113216919) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
PubChem CID113216919
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
SMILESO=C(NCc1ccccc1F)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H19FN2O/c19-16-10-5-4-7-14(16)13-20-17(22)21-18(11-6-12-18)15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2,(H2,20,21,22)
InChIKeyPQSVADRLMHTLLT-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
CID 113215777
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
1-(2-morpholin-4-ylethyl)-3-(1-phenylcyclobutyl)urea
CID 113216911
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide
CID 110480688
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea (CID 113216919) is 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea is O=C(NCc1ccccc1F)NC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea?
The InChIKey is PQSVADRLMHTLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-10-5-4-7-14(16)13-20-17(22)21-18(11-6-12-18)15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2,(H2,20,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea?
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea has a molecular weight of 298.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 113216919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).