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

C13H18FN3O — CID 110490666

IUPAC1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
SMILESNCCCNC(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3O/c14-11-5-2-1-4-10(11)13(6-7-13)17-12(18)16-9-3-8-15/h1-2,4-5H,3,6-9,15H2,(H2,16,17,18)
InChIKeyINODIABGGWQCNF-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.46
Rot. Bonds5

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

1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea (PubChem CID 110490666) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
PubChem CID110490666
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
SMILESNCCCNC(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3O/c14-11-5-2-1-4-10(11)13(6-7-13)17-12(18)16-9-3-8-15/h1-2,4-5H,3,6-9,15H2,(H2,16,17,18)
InChIKeyINODIABGGWQCNF-UHFFFAOYSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.46
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

7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
CID 110469859
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469652
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
CID 110480254
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyridin-4-ylurea
CID 110469651
1-[1-(2-aminophenyl)cyclopropyl]-3-propylurea
CID 110491057
(2S)-2-amino-N-[1-(2-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482468
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
CID 120501299

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea?
The IUPAC name of 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea (CID 110490666) is 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea is NCCCNC(=O)NC1(c2ccccc2F)CC1.
What is the InChIKey of 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea?
The InChIKey is INODIABGGWQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-5-2-1-4-10(11)13(6-7-13)17-12(18)16-9-3-8-15/h1-2,4-5H,3,6-9,15H2,(H2,16,17,18).
What are the key properties of 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea?
1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea has a molecular weight of 251.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea is sourced from PubChem (CID 110490666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).