1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea

C26H25FN2O4 — CID 46182294

IUPAC1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
SMILESCOc1ccc(COCC2(C)C=Cc3cc(NC(=O)Nc4ccc(F)cc4)ccc3O2)cc1
InChIInChI=1S/C26H25FN2O4/c1-26(17-32-16-18-3-10-23(31-2)11-4-18)14-13-19-15-22(9-12-24(19)33-26)29-25(30)28-21-7-5-20(27)6-8-21/h3-15H,16-17H2,1-2H3,(H2,28,29,30)
InChIKeyVOWGTLYKSZSLKT-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.86
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea

1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea (PubChem CID 46182294) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
PubChem CID46182294
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
SMILESCOc1ccc(COCC2(C)C=Cc3cc(NC(=O)Nc4ccc(F)cc4)ccc3O2)cc1
InChIInChI=1S/C26H25FN2O4/c1-26(17-32-16-18-3-10-23(31-2)11-4-18)14-13-19-15-22(9-12-24(19)33-26)29-25(30)28-21-7-5-20(27)6-8-21/h3-15H,16-17H2,1-2H3,(H2,28,29,30)
InChIKeyVOWGTLYKSZSLKT-UHFFFAOYSA-N
XLogP5.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-[2-methyl-2-(phenylmethoxymethyl)chromen-6-yl]urea
CID 46182207
butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate
CID 46182337
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
1-cyclohexyl-3-[2-(ethoxymethyl)-2-methylchromen-6-yl]urea
CID 46182122
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
CID 142698899
N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide
CID 59921176
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
CID 142698908
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea (CID 46182294) is 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea is COc1ccc(COCC2(C)C=Cc3cc(NC(=O)Nc4ccc(F)cc4)ccc3O2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea?
The InChIKey is VOWGTLYKSZSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c1-26(17-32-16-18-3-10-23(31-2)11-4-18)14-13-19-15-22(9-12-24(19)33-26)29-25(30)28-21-7-5-20(27)6-8-21/h3-15H,16-17H2,1-2H3,(H2,28,29,30).
What are the key properties of 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea?
1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea has a molecular weight of 448.49 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea is sourced from PubChem (CID 46182294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).