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

C13H17FN2O2 — CID 110750885

IUPAC1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C13H17FN2O2/c1-2-6-15-13(17)16-11-5-7-18-12-4-3-9(14)8-10(11)12/h3-4,8,11H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyJHCLXVBJIRMMLT-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.36
Rot. Bonds3

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

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea (PubChem CID 110750885) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
PubChem CID110750885
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C13H17FN2O2/c1-2-6-15-13(17)16-11-5-7-18-12-4-3-9(14)8-10(11)12/h3-4,8,11H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyJHCLXVBJIRMMLT-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
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-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 136524628
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea (CID 110750885) is 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea is CCCNC(=O)NC1CCOc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea?
The InChIKey is JHCLXVBJIRMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-6-15-13(17)16-11-5-7-18-12-4-3-9(14)8-10(11)12/h3-4,8,11H,2,5-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea?
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea has a molecular weight of 252.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea is sourced from PubChem (CID 110750885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).