1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea

C11H12FN3O2 — CID 110932007

IUPAC1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O2/c1-7(6-16)14-11(17)15-9-2-3-10(12)8(4-9)5-13/h2-4,7,16H,6H2,1H3,(H2,14,15,17)
InChIKeyVORUQIWDDCNVKB-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.20
Rot. Bonds3

About 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea

1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110932007) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID110932007
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O2/c1-7(6-16)14-11(17)15-9-2-3-10(12)8(4-9)5-13/h2-4,7,16H,6H2,1H3,(H2,14,15,17)
InChIKeyVORUQIWDDCNVKB-UHFFFAOYSA-N
XLogP1.20
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
(2R)-2-[(3-cyano-4-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827489
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
1-(3-cyano-4-fluorophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120712
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
N-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 55057780
1-(3-cyano-4-fluorophenyl)-3-propan-2-ylthiourea
CID 115609909
2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
CID 62855843
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylpentanamide
CID 113440983

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea (CID 110932007) is 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is VORUQIWDDCNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7(6-16)14-11(17)15-9-2-3-10(12)8(4-9)5-13/h2-4,7,16H,6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 237.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-fluorophenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110932007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).