1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea

C13H15FN2O — CID 110469627

IUPAC1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
SMILESO=C(NC1CC1)NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H15FN2O/c14-11-4-2-1-3-10(11)13(7-8-13)16-12(17)15-9-5-6-9/h1-4,9H,5-8H2,(H2,15,16,17)
InChIKeyFADSVSSKYMHKBF-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.28
Rot. Bonds3

About 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea

1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea (PubChem CID 110469627) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
PubChem CID110469627
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
SMILESO=C(NC1CC1)NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H15FN2O/c14-11-4-2-1-3-10(11)13(7-8-13)16-12(17)15-9-5-6-9/h1-4,9H,5-8H2,(H2,15,16,17)
InChIKeyFADSVSSKYMHKBF-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyridin-4-ylurea
CID 110469651
1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea
CID 110469941
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea
CID 110490668
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469652
N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
CID 110480254
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea (CID 110469627) is 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea is O=C(NC1CC1)NC1(c2ccccc2F)CC1.
What is the InChIKey of 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea?
The InChIKey is FADSVSSKYMHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-4-2-1-3-10(11)13(7-8-13)16-12(17)15-9-5-6-9/h1-4,9H,5-8H2,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea?
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea has a molecular weight of 234.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea is sourced from PubChem (CID 110469627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).