1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea

C11H15FN2O — CID 115588406

IUPAC1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-8(2)13-11(15)14(3)10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyHXEIQWJADQFFOR-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea

1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea (PubChem CID 115588406) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
PubChem CID115588406
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-8(2)13-11(15)14(3)10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyHXEIQWJADQFFOR-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene
CID 154880008
(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107827366
N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145944
1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163040
3-butyl-1-(4-fluorophenyl)-1-methylurea
CID 115588404
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923
2-[[[(4-fluorophenyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221688
2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 166249701
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea (CID 115588406) is 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea?
The InChIKey is HXEIQWJADQFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(2)13-11(15)14(3)10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15).
What are the key properties of 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea?
1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea has a molecular weight of 210.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 115588406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).