3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea

C11H15FN2O2 — CID 27209701

IUPAC3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
SMILESC[C@@H](O)CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-8(15)7-14(2)11(16)13-10-5-3-9(12)4-6-10/h3-6,8,15H,7H2,1-2H3,(H,13,16)/t8-/m1/s1
InChIKeyDVRZUPHYILGZRF-MRVPVSSYSA-N
MW226.25 g/mol
LogP1.67
Rot. Bonds3

About 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea

3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea (PubChem CID 27209701) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
PubChem CID27209701
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
SMILESC[C@@H](O)CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-8(15)7-14(2)11(16)13-10-5-3-9(12)4-6-10/h3-6,8,15H,7H2,1-2H3,(H,13,16)/t8-/m1/s1
InChIKeyDVRZUPHYILGZRF-MRVPVSSYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-(4-fluorophenyl)-1-methylurea
CID 54991791
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715
2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 55061089
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
CID 95301553
1-(2-chloroethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441663
1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441619
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea?
The IUPAC name of 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea (CID 27209701) is 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea is C[C@@H](O)CN(C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea?
The InChIKey is DVRZUPHYILGZRF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(15)7-14(2)11(16)13-10-5-3-9(12)4-6-10/h3-6,8,15H,7H2,1-2H3,(H,13,16)/t8-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea?
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea has a molecular weight of 226.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea is sourced from PubChem (CID 27209701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).