1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea

C10H13FN2O3 — CID 5130491

IUPAC1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)NC(CO)CO
InChIInChI=1S/C10H13FN2O3/c11-8-3-1-2-4-9(8)13-10(16)12-7(5-14)6-15/h1-4,7,14-15H,5-6H2,(H2,12,13,16)
InChIKeyFSSGPPJQAPJKPG-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.30
Rot. Bonds4

About 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea

1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea (PubChem CID 5130491) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
PubChem CID5130491
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)NC(CO)CO
InChIInChI=1S/C10H13FN2O3/c11-8-3-1-2-4-9(8)13-10(16)12-7(5-14)6-15/h1-4,7,14-15H,5-6H2,(H2,12,13,16)
InChIKeyFSSGPPJQAPJKPG-UHFFFAOYSA-N
XLogP0.30
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
CID 63767489
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 72548624
1-[2-(difluoromethylsulfanyl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890916
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea (CID 5130491) is 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)NC(CO)CO.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea?
The InChIKey is FSSGPPJQAPJKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-8-3-1-2-4-9(8)13-10(16)12-7(5-14)6-15/h1-4,7,14-15H,5-6H2,(H2,12,13,16).
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea?
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea has a molecular weight of 228.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 5130491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).