N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide

C17H13BrClNO2 — CID 16546165

IUPACN-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C17H13BrClNO2/c1-9-8-11(18)6-7-14(9)20-17(21)15-10(2)12-4-3-5-13(19)16(12)22-15/h3-8H,1-2H3,(H,20,21)
InChIKeyBDZWYJYEWDITLN-UHFFFAOYSA-N
MW378.65 g/mol
LogP5.72
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 16546165) has the molecular formula C17H13BrClNO2 and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID16546165
Molecular FormulaC17H13BrClNO2
Molecular Weight378.65 g/mol
Exact Mass376.98
IUPAC NameN-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C17H13BrClNO2/c1-9-8-11(18)6-7-14(9)20-17(21)15-10(2)12-4-3-5-13(19)16(12)22-15/h3-8H,1-2H3,(H,20,21)
InChIKeyBDZWYJYEWDITLN-UHFFFAOYSA-N
XLogP5.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 30969347
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46543410
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7924968

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 16546165) is N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1oc2c(Cl)cccc2c1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BDZWYJYEWDITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO2/c1-9-8-11(18)6-7-14(9)20-17(21)15-10(2)12-4-3-5-13(19)16(12)22-15/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 378.65 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16546165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).