1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea

C18H18F2N2O3 — CID 51092725

IUPAC1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
SMILESCOc1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)ccc1O
InChIInChI=1S/C18H18F2N2O3/c1-25-17-8-11(2-7-16(17)23)10-22(13-4-5-13)18(24)21-15-6-3-12(19)9-14(15)20/h2-3,6-9,13,23H,4-5,10H2,1H3,(H,21,24)
InChIKeyGMWAAVWTNIXZKT-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.88
Rot. Bonds5

About 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea

1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea (PubChem CID 51092725) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
PubChem CID51092725
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
SMILESCOc1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)ccc1O
InChIInChI=1S/C18H18F2N2O3/c1-25-17-8-11(2-7-16(17)23)10-22(13-4-5-13)18(24)21-15-6-3-12(19)9-14(15)20/h2-3,6-9,13,23H,4-5,10H2,1H3,(H,21,24)
InChIKeyGMWAAVWTNIXZKT-UHFFFAOYSA-N
XLogP3.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56576651
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
CID 60805584
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 88613035
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
CID 20908214
1-benzyl-3-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 70370290
1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
CID 129012477

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea (CID 51092725) is 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea is COc1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)ccc1O.
What is the InChIKey of 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
The InChIKey is GMWAAVWTNIXZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-25-17-8-11(2-7-16(17)23)10-22(13-4-5-13)18(24)21-15-6-3-12(19)9-14(15)20/h2-3,6-9,13,23H,4-5,10H2,1H3,(H,21,24).
What are the key properties of 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea has a molecular weight of 348.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 51092725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).