1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea

C14H17FN2O — CID 110469873

IUPAC1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C14H17FN2O/c1-2-10-16-13(18)17-14(8-3-9-14)11-4-6-12(15)7-5-11/h2,4-7H,1,3,8-10H2,(H2,16,17,18)
InChIKeyVZBDGFGHPBGEGR-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.69
Rot. Bonds4

About 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea

1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea (PubChem CID 110469873) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
PubChem CID110469873
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C14H17FN2O/c1-2-10-16-13(18)17-14(8-3-9-14)11-4-6-12(15)7-5-11/h2,4-7H,1,3,8-10H2,(H2,16,17,18)
InChIKeyVZBDGFGHPBGEGR-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95279939
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea
CID 110469624
4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide
CID 86899076
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea (CID 110469873) is 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea is C=CCNC(=O)NC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea?
The InChIKey is VZBDGFGHPBGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-10-16-13(18)17-14(8-3-9-14)11-4-6-12(15)7-5-11/h2,4-7H,1,3,8-10H2,(H2,16,17,18).
What are the key properties of 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea?
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea has a molecular weight of 248.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea is sourced from PubChem (CID 110469873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).