1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea

C17H17FN2O2 — CID 110750884

IUPAC1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
SMILESO=C(NCc1ccccc1)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O2/c18-13-6-7-16-14(10-13)15(8-9-22-16)20-17(21)19-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H2,19,20,21)
InChIKeyLLJCZFKYYGMIGL-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.15
Rot. Bonds3

About 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea

1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 110750884) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID110750884
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
SMILESO=C(NCc1ccccc1)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O2/c18-13-6-7-16-14(10-13)15(8-9-22-16)20-17(21)19-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H2,19,20,21)
InChIKeyLLJCZFKYYGMIGL-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 53498052
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 154805152
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
CID 110751350
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
ethane;1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methyl]urea
CID 171787486
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea (CID 110750884) is 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea is O=C(NCc1ccccc1)NC1CCOc2ccc(F)cc21.
What is the InChIKey of 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is LLJCZFKYYGMIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-13-6-7-16-14(10-13)15(8-9-22-16)20-17(21)19-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 300.33 g/mol, XLogP of 3.15, 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-3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 110750884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).