1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea

C18H17BrN2O2 — CID 70238342

IUPAC1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea
SMILESC=CNC(=O)NC1CC(c2ccccc2)Oc2ccc(Br)cc21
InChIInChI=1S/C18H17BrN2O2/c1-2-20-18(22)21-15-11-17(12-6-4-3-5-7-12)23-16-9-8-13(19)10-14(15)16/h2-10,15,17H,1,11H2,(H2,20,21,22)
InChIKeyUHJJWUXBSBQRMD-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.46
Rot. Bonds3

About 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea

1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea (PubChem CID 70238342) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea.

Molecular Properties

Compound Name1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea
PubChem CID70238342
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea
SMILESC=CNC(=O)NC1CC(c2ccccc2)Oc2ccc(Br)cc21
InChIInChI=1S/C18H17BrN2O2/c1-2-20-18(22)21-15-11-17(12-6-4-3-5-7-12)23-16-9-8-13(19)10-14(15)16/h2-10,15,17H,1,11H2,(H2,20,21,22)
InChIKeyUHJJWUXBSBQRMD-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
1-(1,3-dioxoisoindol-5-yl)-3-[(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]urea
CID 146096199
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
(4S)-6-bromo-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951295
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951096
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea?
The IUPAC name of 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea (CID 70238342) is 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea.
What is the SMILES notation for 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea?
The canonical SMILES for 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea is C=CNC(=O)NC1CC(c2ccccc2)Oc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea?
The InChIKey is UHJJWUXBSBQRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-2-20-18(22)21-15-11-17(12-6-4-3-5-7-12)23-16-9-8-13(19)10-14(15)16/h2-10,15,17H,1,11H2,(H2,20,21,22).
What are the key properties of 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea?
1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea has a molecular weight of 373.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-3-ethenylurea is sourced from PubChem (CID 70238342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).