3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide

C16H14BrNO2 — CID 79466753

IUPAC3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1Br
InChIInChI=1S/C16H14BrNO2/c1-10-2-3-12(9-14(10)17)16(19)18-13-4-5-15-11(8-13)6-7-20-15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyHOINQQDFUZDPBD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.94
Rot. Bonds2

About 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide

3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide (PubChem CID 79466753) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
PubChem CID79466753
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1Br
InChIInChI=1S/C16H14BrNO2/c1-10-2-3-12(9-14(10)17)16(19)18-13-4-5-15-11(8-13)6-7-20-15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyHOINQQDFUZDPBD-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylbenzamide
CID 104852259
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylthiophene-2-carboxamide
CID 38558554
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114310163
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide (CID 79466753) is 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1Br.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide?
The InChIKey is HOINQQDFUZDPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-10-2-3-12(9-14(10)17)16(19)18-13-4-5-15-11(8-13)6-7-20-15/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide?
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide has a molecular weight of 332.20 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide is sourced from PubChem (CID 79466753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).