1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

C17H18F2N2O2 — CID 111455268

IUPAC1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESO=C(NCc1cc(F)ccc1F)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)13(10-14)11-20-17(23)21-16(8-9-22)12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)/t16-/m1/s1
InChIKeyXYRNNYPKAKRAHQ-MRXNPFEDSA-N
MW320.34 g/mol
LogP2.89
Rot. Bonds6

About 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 111455268) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID111455268
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESO=C(NCc1cc(F)ccc1F)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)13(10-14)11-20-17(23)21-16(8-9-22)12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)/t16-/m1/s1
InChIKeyXYRNNYPKAKRAHQ-MRXNPFEDSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
CID 63792258
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
(2R)-4-amino-2-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107827847
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
1-[(5-ethylthiophen-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111454522
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 111455268) is 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is O=C(NCc1cc(F)ccc1F)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is XYRNNYPKAKRAHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)13(10-14)11-20-17(23)21-16(8-9-22)12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 320.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 111455268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).