1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea

C10H12FN3O — CID 43596595

IUPAC1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea
SMILESNC1CC1NC(=O)Nc1ccccc1F
InChIInChI=1S/C10H12FN3O/c11-6-3-1-2-4-8(6)13-10(15)14-9-5-7(9)12/h1-4,7,9H,5,12H2,(H2,13,14,15)
InChIKeyMRNHRBMCMOENLL-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.05
Rot. Bonds2

About 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea

1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea (PubChem CID 43596595) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea
PubChem CID43596595
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea
SMILESNC1CC1NC(=O)Nc1ccccc1F
InChIInChI=1S/C10H12FN3O/c11-6-3-1-2-4-8(6)13-10(15)14-9-5-7(9)12/h1-4,7,9H,5,12H2,(H2,13,14,15)
InChIKeyMRNHRBMCMOENLL-UHFFFAOYSA-N
XLogP1.05
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
CID 114632529
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-ethenyl-3-(2-fluorophenyl)urea
CID 108909167
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-3-(2-fluorophenyl)urea
CID 21400903
1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
CID 62663672
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea (CID 43596595) is 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea is NC1CC1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea?
The InChIKey is MRNHRBMCMOENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-6-3-1-2-4-8(6)13-10(15)14-9-5-7(9)12/h1-4,7,9H,5,12H2,(H2,13,14,15).
What are the key properties of 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea?
1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea has a molecular weight of 209.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopropyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 43596595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).