1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C13H19FN2O3 — CID 111754626

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)CCO)cc1F
InChIInChI=1S/C13H19FN2O3/c1-13(2,6-7-17)16-12(18)15-9-4-5-11(19-3)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H2,15,16,18)
InChIKeyXREGMXFBPLTVQN-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.12
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754626) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754626
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)CCO)cc1F
InChIInChI=1S/C13H19FN2O3/c1-13(2,6-7-17)16-12(18)15-9-4-5-11(19-3)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H2,15,16,18)
InChIKeyXREGMXFBPLTVQN-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
1-(3-fluoro-4-methoxyphenyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111473785
1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754526
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111925980
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
CID 74235615
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111754626) is 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is COc1ccc(NC(=O)NC(C)(C)CCO)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is XREGMXFBPLTVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-13(2,6-7-17)16-12(18)15-9-4-5-11(19-3)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 270.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).