1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea

C18H18ClFN2O2 — CID 11695964

IUPAC1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cccc(Cl)c2)c2cc(F)ccc2O1
InChIInChI=1S/C18H18ClFN2O2/c1-18(2)10-15(14-9-12(20)6-7-16(14)24-18)22-17(23)21-13-5-3-4-11(19)8-13/h3-9,15H,10H2,1-2H3,(H2,21,22,23)
InChIKeyWVJAISADWKHYRO-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.90
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea

1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (PubChem CID 11695964) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
PubChem CID11695964
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cccc(Cl)c2)c2cc(F)ccc2O1
InChIInChI=1S/C18H18ClFN2O2/c1-18(2)10-15(14-9-12(20)6-7-16(14)24-18)22-17(23)21-13-5-3-4-11(19)8-13/h3-9,15H,10H2,1-2H3,(H2,21,22,23)
InChIKeyWVJAISADWKHYRO-UHFFFAOYSA-N
XLogP4.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (CID 11695964) is 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is CC1(C)CC(NC(=O)Nc2cccc(Cl)c2)c2cc(F)ccc2O1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The InChIKey is WVJAISADWKHYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-18(2)10-15(14-9-12(20)6-7-16(14)24-18)22-17(23)21-13-5-3-4-11(19)8-13/h3-9,15H,10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea has a molecular weight of 348.81 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is sourced from PubChem (CID 11695964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).