1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea

C19H22F2N2O4 — CID 22924132

IUPAC1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea
SMILESCOc1cc(F)cc(F)c1NC(=O)NCc1ccc(OC(C)(C)CO)cc1
InChIInChI=1S/C19H22F2N2O4/c1-19(2,11-24)27-14-6-4-12(5-7-14)10-22-18(25)23-17-15(21)8-13(20)9-16(17)26-3/h4-9,24H,10-11H2,1-3H3,(H2,22,23,25)
InChIKeyOPWYZJCAXOCWPO-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.44
Rot. Bonds7

About 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea

1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea (PubChem CID 22924132) has the molecular formula C19H22F2N2O4 and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea
PubChem CID22924132
Molecular FormulaC19H22F2N2O4
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea
SMILESCOc1cc(F)cc(F)c1NC(=O)NCc1ccc(OC(C)(C)CO)cc1
InChIInChI=1S/C19H22F2N2O4/c1-19(2,11-24)27-14-6-4-12(5-7-14)10-22-18(25)23-17-15(21)8-13(20)9-16(17)26-3/h4-9,24H,10-11H2,1-3H3,(H2,22,23,25)
InChIKeyOPWYZJCAXOCWPO-UHFFFAOYSA-N
XLogP3.44
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea with MolForge

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Related Compounds

1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 47069290
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 51082657
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(5-chloro-2-methylsulfanylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 60588866
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
CID 51100451

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea?
The IUPAC name of 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea (CID 22924132) is 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea?
The canonical SMILES for 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea is COc1cc(F)cc(F)c1NC(=O)NCc1ccc(OC(C)(C)CO)cc1.
What is the InChIKey of 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea?
The InChIKey is OPWYZJCAXOCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4/c1-19(2,11-24)27-14-6-4-12(5-7-14)10-22-18(25)23-17-15(21)8-13(20)9-16(17)26-3/h4-9,24H,10-11H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea?
1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea has a molecular weight of 380.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea is sourced from PubChem (CID 22924132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).