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

C13H20FN3O — CID 44755798

IUPAC1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
SMILESCCN(CC)CCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-3-17(4-2)9-8-15-13(18)16-12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyYGRCGCWWQHDZJS-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.29
Rot. Bonds6

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

1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea (PubChem CID 44755798) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
PubChem CID44755798
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
SMILESCCN(CC)CCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-3-17(4-2)9-8-15-13(18)16-12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyYGRCGCWWQHDZJS-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906211
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea (CID 44755798) is 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea is CCN(CC)CCNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea?
The InChIKey is YGRCGCWWQHDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-17(4-2)9-8-15-13(18)16-12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea?
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea has a molecular weight of 253.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 44755798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).