1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea

C13H20FN3O2 — CID 110894229

IUPAC1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
SMILESCC(C)N(C)c1ccc(NC(=O)NCCO)cc1F
InChIInChI=1S/C13H20FN3O2/c1-9(2)17(3)12-5-4-10(8-11(12)14)16-13(19)15-6-7-18/h4-5,8-9,18H,6-7H2,1-3H3,(H2,15,16,19)
InChIKeyADKKYWFOHVVTAS-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.78
Rot. Bonds5

About 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea

1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894229) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
PubChem CID110894229
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
SMILESCC(C)N(C)c1ccc(NC(=O)NCCO)cc1F
InChIInChI=1S/C13H20FN3O2/c1-9(2)17(3)12-5-4-10(8-11(12)14)16-13(19)15-6-7-18/h4-5,8-9,18H,6-7H2,1-3H3,(H2,15,16,19)
InChIKeyADKKYWFOHVVTAS-UHFFFAOYSA-N
XLogP1.78
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453091
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 64618160
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
2-[2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-2-oxoethoxy]acetic acid
CID 61327848
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea (CID 110894229) is 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea is CC(C)N(C)c1ccc(NC(=O)NCCO)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is ADKKYWFOHVVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-9(2)17(3)12-5-4-10(8-11(12)14)16-13(19)15-6-7-18/h4-5,8-9,18H,6-7H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea?
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 269.32 g/mol, XLogP of 1.78, 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-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).