1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea

C15H13BrN2O2 — CID 110866595

IUPAC1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H13BrN2O2/c16-11-2-1-3-12(9-11)17-15(19)18-13-4-5-14-10(8-13)6-7-20-14/h1-5,8-9H,6-7H2,(H2,17,18,19)
InChIKeyTXSFBZBIKMVRLB-UHFFFAOYSA-N
MW333.19 g/mol
LogP4.03
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea

1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea (PubChem CID 110866595) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
PubChem CID110866595
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H13BrN2O2/c16-11-2-1-3-12(9-11)17-15(19)18-13-4-5-14-10(8-13)6-7-20-14/h1-5,8-9H,6-7H2,(H2,17,18,19)
InChIKeyTXSFBZBIKMVRLB-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
CID 113346686
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940292
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylbenzamide
CID 104852259

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea (CID 110866595) is 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea is O=C(Nc1cccc(Br)c1)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea?
The InChIKey is TXSFBZBIKMVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-11-2-1-3-12(9-11)17-15(19)18-13-4-5-14-10(8-13)6-7-20-14/h1-5,8-9H,6-7H2,(H2,17,18,19).
What are the key properties of 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea?
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea has a molecular weight of 333.19 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea is sourced from PubChem (CID 110866595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).