1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea

C12H16FN3O — CID 62663672

IUPAC1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCCNC1CC1)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-4-11(10)16-12(17)15-8-7-14-9-5-6-9/h1-4,9,14H,5-8H2,(H2,15,16,17)
InChIKeyXZCGVYSZCFZIEH-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea

1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 62663672) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
PubChem CID62663672
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCCNC1CC1)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-4-11(10)16-12(17)15-8-7-14-9-5-6-9/h1-4,9,14H,5-8H2,(H2,15,16,17)
InChIKeyXZCGVYSZCFZIEH-UHFFFAOYSA-N
XLogP1.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-[3-(cyclopropylamino)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 61315173
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-6-[3-(cyclopropylamino)propylcarbamoylamino]benzoic acid
CID 63722452
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea (CID 62663672) is 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea is O=C(NCCNC1CC1)Nc1ccccc1F.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is XZCGVYSZCFZIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-3-1-2-4-11(10)16-12(17)15-8-7-14-9-5-6-9/h1-4,9,14H,5-8H2,(H2,15,16,17).
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea?
1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 237.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 62663672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).