1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea

C11H14FN3O — CID 61029509

IUPAC1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
SMILESNC1CC(NC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C11H14FN3O/c12-7-2-1-3-9(4-7)14-11(16)15-10-5-8(13)6-10/h1-4,8,10H,5-6,13H2,(H2,14,15,16)
InChIKeyVZHGQBDEEZCMCG-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea

1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea (PubChem CID 61029509) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
PubChem CID61029509
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
SMILESNC1CC(NC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C11H14FN3O/c12-7-2-1-3-9(4-7)14-11(16)15-10-5-8(13)6-10/h1-4,8,10H,5-6,13H2,(H2,14,15,16)
InChIKeyVZHGQBDEEZCMCG-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-(3-fluorophenyl)urea
CID 61150447
1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
CID 61030345
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
1-(3-fluorophenyl)-3-[(1S,5S)-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461746
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
1-(3-fluorophenyl)-3-[9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217300
1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea
CID 128811232
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea (CID 61029509) is 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea is NC1CC(NC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea?
The InChIKey is VZHGQBDEEZCMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-7-2-1-3-9(4-7)14-11(16)15-10-5-8(13)6-10/h1-4,8,10H,5-6,13H2,(H2,14,15,16).
What are the key properties of 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea?
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea has a molecular weight of 223.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 61029509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).