1-(3-aminopropyl)-1-(4-fluorophenyl)urea

C10H14FN3O — CID 43136215

IUPAC1-(3-aminopropyl)-1-(4-fluorophenyl)urea
SMILESNCCCN(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O/c11-8-2-4-9(5-3-8)14(10(13)15)7-1-6-12/h2-5H,1,6-7,12H2,(H2,13,15)
InChIKeyKVPYWCZVCQDLEE-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.06
Rot. Bonds4

About 1-(3-aminopropyl)-1-(4-fluorophenyl)urea

1-(3-aminopropyl)-1-(4-fluorophenyl)urea (PubChem CID 43136215) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-(4-fluorophenyl)urea
PubChem CID43136215
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name1-(3-aminopropyl)-1-(4-fluorophenyl)urea
SMILESNCCCN(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O/c11-8-2-4-9(5-3-8)14(10(13)15)7-1-6-12/h2-5H,1,6-7,12H2,(H2,13,15)
InChIKeyKVPYWCZVCQDLEE-UHFFFAOYSA-N
XLogP1.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205332
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
CID 103017246
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81440121
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
1-butyl-1-(4-ethylphenyl)urea
CID 45095409

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-(4-fluorophenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-1-(4-fluorophenyl)urea (CID 43136215) is 1-(3-aminopropyl)-1-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-1-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-1-(4-fluorophenyl)urea is NCCCN(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 1-(3-aminopropyl)-1-(4-fluorophenyl)urea?
The InChIKey is KVPYWCZVCQDLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-2-4-9(5-3-8)14(10(13)15)7-1-6-12/h2-5H,1,6-7,12H2,(H2,13,15).
What are the key properties of 1-(3-aminopropyl)-1-(4-fluorophenyl)urea?
1-(3-aminopropyl)-1-(4-fluorophenyl)urea has a molecular weight of 211.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-(4-fluorophenyl)urea is sourced from PubChem (CID 43136215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).