1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea

C14H21FN2O2 — CID 97428521

IUPAC1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea
SMILESCO[C@@](C)(CNC(=O)NC(C)C)c1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-10(2)17-13(18)16-9-14(3,19-4)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyNIEBDVLJCLAFFE-AWEZNQCLSA-N
MW268.33 g/mol
LogP2.39
Rot. Bonds5

About 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea

1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea (PubChem CID 97428521) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea
PubChem CID97428521
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea
SMILESCO[C@@](C)(CNC(=O)NC(C)C)c1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-10(2)17-13(18)16-9-14(3,19-4)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyNIEBDVLJCLAFFE-AWEZNQCLSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

US10343992, Example 188
CID 122590681
2-Oxo-5-phenyl-N-(propan-2-yl)-1,3-oxazolidine-3-carboximidic acid
CID 214980
3-Oxazolidinecarboxamide, N-ethyl-5-(4-fluorophenyl)-2-oxo-
CID 214988
5-(4-Fluorophenyl)-2-oxo-N-propyl-1,3-oxazolidine-3-carboximidic acid
CID 214989
3-Oxazolidinecarboxamide, N-ethyl-5-(3-fluorophenyl)-2-oxo-
CID 214990
3-Oxazolidinecarboxamide, 5-(3-fluorophenyl)-2-oxo-N-propyl-
CID 214991
5-(3-Fluorophenyl)-2-oxo-N-(propan-2-yl)-1,3-oxazolidine-3-carboximidic acid
CID 214992
1-(4-Fluorobenzyl)-3-(2-methoxy-2-(o-tolyl)ethyl)urea
CID 71810581
Ethyl (2-(2-fluorophenyl)-2-methoxypropyl)carbamate
CID 71810594
N-(2-(2-fluorophenyl)-2-methoxypropyl)cyclohex-3-enecarboxamide
CID 71810645
N-[2-(2-Fluorophenyl)-2-methoxypropyl]-2-oxoimidazolidine-1-carboxamide
CID 71810654
N-(2-methoxy-2-phenylbutyl)acetamide
CID 71810717

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea (CID 97428521) is 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea is CO[C@@](C)(CNC(=O)NC(C)C)c1ccccc1F.
What is the InChIKey of 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea?
The InChIKey is NIEBDVLJCLAFFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(2)17-13(18)16-9-14(3,19-4)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea?
1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea has a molecular weight of 268.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-propan-2-ylurea is sourced from PubChem (CID 97428521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).