[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea

C10H10FN3O — CID 60814279

IUPAC[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
SMILESNCC#Cc1ccc(NC(N)=O)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-8-6-7(2-1-5-12)3-4-9(8)14-10(13)15/h3-4,6H,5,12H2,(H3,13,14,15)
InChIKeyICOYALLKYGIKRW-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.63
Rot. Bonds1

About [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea

[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea (PubChem CID 60814279) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea.

Molecular Properties

Compound Name[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
PubChem CID60814279
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
SMILESNCC#Cc1ccc(NC(N)=O)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-8-6-7(2-1-5-12)3-4-9(8)14-10(13)15/h3-4,6H,5,12H2,(H3,13,14,15)
InChIKeyICOYALLKYGIKRW-UHFFFAOYSA-N
XLogP0.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
CID 60804128
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-tert-butylurea
CID 54922971
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-cyclopropylurea
CID 62698555
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002393
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1,2-oxazole-5-carboxamide
CID 60804103
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1,4-dioxane-2-carboxamide
CID 62804364
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 60804116
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]thiane-2-carboxamide
CID 80594944
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803947
4-(3-aminoprop-1-ynyl)-1-(dimethylsulfamoylamino)-2-fluorobenzene
CID 60813948
5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
CID 65310924

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea?
The IUPAC name of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea (CID 60814279) is [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea.
What is the SMILES notation for [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea?
The canonical SMILES for [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea is NCC#Cc1ccc(NC(N)=O)c(F)c1.
What is the InChIKey of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea?
The InChIKey is ICOYALLKYGIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-6-7(2-1-5-12)3-4-9(8)14-10(13)15/h3-4,6H,5,12H2,(H3,13,14,15).
What are the key properties of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea?
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea has a molecular weight of 207.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea is sourced from PubChem (CID 60814279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).