1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea

C11H16FN3O — CID 63767489

IUPAC1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
SMILESCCC(CN)NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H16FN3O/c1-2-8(7-13)14-11(16)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7,13H2,1H3,(H2,14,15,16)
InChIKeyYWVUXXGWQJRQSH-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.68
Rot. Bonds4

About 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea

1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea (PubChem CID 63767489) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
PubChem CID63767489
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
SMILESCCC(CN)NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H16FN3O/c1-2-8(7-13)14-11(16)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7,13H2,1H3,(H2,14,15,16)
InChIKeyYWVUXXGWQJRQSH-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

1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
CID 5130491
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea (CID 63767489) is 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea is CCC(CN)NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea?
The InChIKey is YWVUXXGWQJRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-8(7-13)14-11(16)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea?
1-(1-aminobutan-2-yl)-3-(2-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-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 63767489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).