1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea

C16H15FN2O2 — CID 110866586

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)NC1CCOc2ccccc21
InChIInChI=1S/C16H15FN2O2/c17-11-4-3-5-12(10-11)18-16(20)19-14-8-9-21-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H2,18,19,20)
InChIKeyOZNADPQEGNHNCJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.47
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea

1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea (PubChem CID 110866586) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
PubChem CID110866586
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)NC1CCOc2ccccc21
InChIInChI=1S/C16H15FN2O2/c17-11-4-3-5-12(10-11)18-16(20)19-14-8-9-21-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H2,18,19,20)
InChIKeyOZNADPQEGNHNCJ-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-isoquinolin-5-ylurea
CID 53250374
1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-isoquinolin-5-ylurea
CID 25264620
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea (CID 110866586) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea?
The InChIKey is OZNADPQEGNHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-11-4-3-5-12(10-11)18-16(20)19-14-8-9-21-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H2,18,19,20).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea has a molecular weight of 286.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 110866586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).