1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C17H18F2N2O2 — CID 75517893

IUPAC1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCC(NC(=O)N[C@H](CO)c1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C17H18F2N2O2/c1-11(13-8-5-9-14(18)16(13)19)20-17(23)21-15(10-22)12-6-3-2-4-7-12/h2-9,11,15,22H,10H2,1H3,(H2,20,21,23)/t11?,15-/m1/s1
InChIKeyPWLRSECACMNMPM-JOPIAHFSSA-N
MW320.34 g/mol
LogP3.06
Rot. Bonds5

About 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 75517893) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID75517893
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCC(NC(=O)N[C@H](CO)c1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C17H18F2N2O2/c1-11(13-8-5-9-14(18)16(13)19)20-17(23)21-15(10-22)12-6-3-2-4-7-12/h2-9,11,15,22H,10H2,1H3,(H2,20,21,23)/t11?,15-/m1/s1
InChIKeyPWLRSECACMNMPM-JOPIAHFSSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 95968288
1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895772
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969459
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 75517893) is 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is CC(NC(=O)N[C@H](CO)c1ccccc1)c1cccc(F)c1F.
What is the InChIKey of 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is PWLRSECACMNMPM-JOPIAHFSSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11(13-8-5-9-14(18)16(13)19)20-17(23)21-15(10-22)12-6-3-2-4-7-12/h2-9,11,15,22H,10H2,1H3,(H2,20,21,23)/t11?,15-/m1/s1.
What are the key properties of 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 320.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 75517893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).