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

C19H21FN2O2 — CID 11493614

IUPAC1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2CC(C)(C)Oc3ccc(F)cc32)c1
InChIInChI=1S/C19H21FN2O2/c1-12-5-4-6-14(9-12)21-18(23)22-16-11-19(2,3)24-17-8-7-13(20)10-15(16)17/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyKELAWNJNIQCPBF-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.56
Rot. Bonds2

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

1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea (PubChem CID 11493614) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea
PubChem CID11493614
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2CC(C)(C)Oc3ccc(F)cc32)c1
InChIInChI=1S/C19H21FN2O2/c1-12-5-4-6-14(9-12)21-18(23)22-16-11-19(2,3)24-17-8-7-13(20)10-15(16)17/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyKELAWNJNIQCPBF-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea (CID 11493614) is 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC2CC(C)(C)Oc3ccc(F)cc32)c1.
What is the InChIKey of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea?
The InChIKey is KELAWNJNIQCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12-5-4-6-14(9-12)21-18(23)22-16-11-19(2,3)24-17-8-7-13(20)10-15(16)17/h4-10,16H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea?
1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea has a molecular weight of 328.39 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 11493614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).