1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea

C13H17F2N3O — CID 114632507

IUPAC1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea
SMILESCC1(C)C(N)CC1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O/c1-13(2)10(16)6-11(13)18-12(19)17-9-4-3-7(14)5-8(9)15/h3-5,10-11H,6,16H2,1-2H3,(H2,17,18,19)
InChIKeyQKXNFSXOCYCCLJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.21
Rot. Bonds2

About 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea

1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea (PubChem CID 114632507) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea
PubChem CID114632507
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea
SMILESCC1(C)C(N)CC1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O/c1-13(2)10(16)6-11(13)18-12(19)17-9-4-3-7(14)5-8(9)15/h3-5,10-11H,6,16H2,1-2H3,(H2,17,18,19)
InChIKeyQKXNFSXOCYCCLJ-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
CID 114632529
N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
CID 114632325
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(2,4-difluorophenyl)-3-(4-methylpiperidin-4-yl)urea
CID 114696666
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 62956599
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea (CID 114632507) is 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea is CC1(C)C(N)CC1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is QKXNFSXOCYCCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-13(2)10(16)6-11(13)18-12(19)17-9-4-3-7(14)5-8(9)15/h3-5,10-11H,6,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea?
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 269.30 g/mol, XLogP of 2.21, 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-(2,4-difluorophenyl)urea is sourced from PubChem (CID 114632507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).