N-benzyl-7-bromo-1-benzofuran-2-carboxamide

C16H12BrNO2 — CID 38885383

IUPACN-benzyl-7-bromo-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrNO2/c17-13-8-4-7-12-9-14(20-15(12)13)16(19)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)
InChIKeyQQFCYUODSMFDQE-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.13
Rot. Bonds3

About N-benzyl-7-bromo-1-benzofuran-2-carboxamide

N-benzyl-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 38885383) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is N-benzyl-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-bromo-1-benzofuran-2-carboxamide
PubChem CID38885383
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC NameN-benzyl-7-bromo-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrNO2/c17-13-8-4-7-12-9-14(20-15(12)13)16(19)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)
InChIKeyQQFCYUODSMFDQE-UHFFFAOYSA-N
XLogP4.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55692957
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-7-bromo-1-benzofuran-2-carboxamide (CID 38885383) is N-benzyl-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-7-bromo-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of N-benzyl-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is QQFCYUODSMFDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-13-8-4-7-12-9-14(20-15(12)13)16(19)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19).
What are the key properties of N-benzyl-7-bromo-1-benzofuran-2-carboxamide?
N-benzyl-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 330.18 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38885383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).