1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

C17H17BrN2O3 — CID 22580959

IUPAC1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)Nc1ccc(Br)cc1)CO2
InChIInChI=1S/C17H17BrN2O3/c1-22-15-6-7-16-11(9-15)8-14(10-23-16)20-17(21)19-13-4-2-12(18)3-5-13/h2-7,9,14H,8,10H2,1H3,(H2,19,20,21)
InChIKeyYAUDVRCVKVEQSY-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 22580959) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID22580959
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)Nc1ccc(Br)cc1)CO2
InChIInChI=1S/C17H17BrN2O3/c1-22-15-6-7-16-11(9-15)8-14(10-23-16)20-17(21)19-13-4-2-12(18)3-5-13/h2-7,9,14H,8,10H2,1H3,(H2,19,20,21)
InChIKeyYAUDVRCVKVEQSY-UHFFFAOYSA-N
XLogP3.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (CID 22580959) is 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is COc1ccc2c(c1)CC(NC(=O)Nc1ccc(Br)cc1)CO2.
What is the InChIKey of 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is YAUDVRCVKVEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-22-15-6-7-16-11(9-15)8-14(10-23-16)20-17(21)19-13-4-2-12(18)3-5-13/h2-7,9,14H,8,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 377.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 22580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).