1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea

C17H19FN2O3 — CID 95979768

IUPAC1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3/c1-11(16(21)12-7-9-13(18)10-8-12)19-17(22)20-14-5-3-4-6-15(14)23-2/h3-11,16,21H,1-2H3,(H2,19,20,22)/t11-,16-/m0/s1
InChIKeyCTAOESIFLNTPFD-ZBEGNZNMSA-N
MW318.35 g/mol
LogP3.08
Rot. Bonds5

About 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea

1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 95979768) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID95979768
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3/c1-11(16(21)12-7-9-13(18)10-8-12)19-17(22)20-14-5-3-4-6-15(14)23-2/h3-11,16,21H,1-2H3,(H2,19,20,22)/t11-,16-/m0/s1
InChIKeyCTAOESIFLNTPFD-ZBEGNZNMSA-N
XLogP3.08
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116785
1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116756
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
1-(4-acetylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111115072
(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide
CID 166439731
N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide
CID 175348426

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea (CID 95979768) is 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is CTAOESIFLNTPFD-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(16(21)12-7-9-13(18)10-8-12)19-17(22)20-14-5-3-4-6-15(14)23-2/h3-11,16,21H,1-2H3,(H2,19,20,22)/t11-,16-/m0/s1.
What are the key properties of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea?
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 318.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 95979768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).