1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea

C16H16F2N2O3 — CID 110895833

IUPAC1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1ccccc1OC(F)F)NC(CO)c1ccccc1
InChIInChI=1S/C16H16F2N2O3/c17-15(18)23-14-9-5-4-8-12(14)19-16(22)20-13(10-21)11-6-2-1-3-7-11/h1-9,13,15,21H,10H2,(H2,19,20,22)
InChIKeyXDQPMABEZKOKBM-UHFFFAOYSA-N
MW322.31 g/mol
LogP3.14
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110895833) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110895833
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1ccccc1OC(F)F)NC(CO)c1ccccc1
InChIInChI=1S/C16H16F2N2O3/c17-15(18)23-14-9-5-4-8-12(14)19-16(22)20-13(10-21)11-6-2-1-3-7-11/h1-9,13,15,21H,10H2,(H2,19,20,22)
InChIKeyXDQPMABEZKOKBM-UHFFFAOYSA-N
XLogP3.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-cyano-2-(difluoromethoxy)phenyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 129375104
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
CID 61227372
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 4598212
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110895833) is 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea is O=C(Nc1ccccc1OC(F)F)NC(CO)c1ccccc1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is XDQPMABEZKOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-15(18)23-14-9-5-4-8-12(14)19-16(22)20-13(10-21)11-6-2-1-3-7-11/h1-9,13,15,21H,10H2,(H2,19,20,22).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 322.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110895833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).