1-(3-aminobutyl)-3-(3-fluorophenyl)urea

C11H16FN3O — CID 63253702

IUPAC1-(3-aminobutyl)-3-(3-fluorophenyl)urea
SMILESCC(N)CCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H16FN3O/c1-8(13)5-6-14-11(16)15-10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,13H2,1H3,(H2,14,15,16)
InChIKeyKJEOSZWNLBZSJP-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.68
Rot. Bonds4

About 1-(3-aminobutyl)-3-(3-fluorophenyl)urea

1-(3-aminobutyl)-3-(3-fluorophenyl)urea (PubChem CID 63253702) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(3-aminobutyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-aminobutyl)-3-(3-fluorophenyl)urea
PubChem CID63253702
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(3-aminobutyl)-3-(3-fluorophenyl)urea
SMILESCC(N)CCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H16FN3O/c1-8(13)5-6-14-11(16)15-10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,13H2,1H3,(H2,14,15,16)
InChIKeyKJEOSZWNLBZSJP-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(3-aminobutyl)-3-(3-fluorophenyl)urea (CID 63253702) is 1-(3-aminobutyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(3-aminobutyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(3-aminobutyl)-3-(3-fluorophenyl)urea is CC(N)CCNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-aminobutyl)-3-(3-fluorophenyl)urea?
The InChIKey is KJEOSZWNLBZSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(13)5-6-14-11(16)15-10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-aminobutyl)-3-(3-fluorophenyl)urea?
1-(3-aminobutyl)-3-(3-fluorophenyl)urea has a molecular weight of 225.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 63253702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).