1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea

C13H18FN3O — CID 114632529

IUPAC1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
SMILESCC1(C)C(N)CC1NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H18FN3O/c1-13(2)10(15)7-11(13)17-12(18)16-9-6-4-3-5-8(9)14/h3-6,10-11H,7,15H2,1-2H3,(H2,16,17,18)
InChIKeyYKLNEZPIXAFWOK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.07
Rot. Bonds2

About 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea

1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea (PubChem CID 114632529) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
PubChem CID114632529
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
SMILESCC1(C)C(N)CC1NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H18FN3O/c1-13(2)10(15)7-11(13)17-12(18)16-9-6-4-3-5-8(9)14/h3-6,10-11H,7,15H2,1-2H3,(H2,16,17,18)
InChIKeyYKLNEZPIXAFWOK-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea
CID 114632507
N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
CID 114632325
1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea
CID 43596595
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764
1-(2,3-dimethylphenyl)-3-[[3-[(2,3-dimethylphenyl)carbamoylamino]-2,2-dimethylcyclobutyl]methyl]urea
CID 4248400
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040543
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea (CID 114632529) is 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea is CC1(C)C(N)CC1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea?
The InChIKey is YKLNEZPIXAFWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-13(2)10(15)7-11(13)17-12(18)16-9-6-4-3-5-8(9)14/h3-6,10-11H,7,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea?
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea has a molecular weight of 251.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 114632529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).