N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C15H11BrClNO2 — CID 103479981

IUPACN-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H11BrClNO2/c16-14-11(17)2-1-3-12(14)18-15(19)10-4-5-13-9(8-10)6-7-20-13/h1-5,8H,6-7H2,(H,18,19)
InChIKeyUMPXYCUCTNMNEM-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.29
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 103479981) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID103479981
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC NameN-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H11BrClNO2/c16-14-11(17)2-1-3-12(14)18-15(19)10-4-5-13-9(8-10)6-7-20-13/h1-5,8H,6-7H2,(H,18,19)
InChIKeyUMPXYCUCTNMNEM-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86863747
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 103479981) is N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is UMPXYCUCTNMNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c16-14-11(17)2-1-3-12(14)18-15(19)10-4-5-13-9(8-10)6-7-20-13/h1-5,8H,6-7H2,(H,18,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 352.62 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 103479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).