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

C19H21FN2O2 — CID 11336410

IUPAC1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCc2ccccc2)c2cc(F)ccc2O1
InChIInChI=1S/C19H21FN2O2/c1-19(2)11-16(15-10-14(20)8-9-17(15)24-19)22-18(23)21-12-13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyHROJXDDLVYXAHT-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.93
Rot. Bonds3

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

1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (PubChem CID 11336410) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
PubChem CID11336410
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCC1(C)CC(NC(=O)NCc2ccccc2)c2cc(F)ccc2O1
InChIInChI=1S/C19H21FN2O2/c1-19(2)11-16(15-10-14(20)8-9-17(15)24-19)22-18(23)21-12-13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyHROJXDDLVYXAHT-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The IUPAC name of 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (CID 11336410) is 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.
What is the SMILES notation for 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The canonical SMILES for 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is CC1(C)CC(NC(=O)NCc2ccccc2)c2cc(F)ccc2O1.
What is the InChIKey of 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The InChIKey is HROJXDDLVYXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2)11-16(15-10-14(20)8-9-17(15)24-19)22-18(23)21-12-13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea has a molecular weight of 328.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is sourced from PubChem (CID 11336410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).