N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C16H11BrClNO2 — CID 27843870

IUPACN-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Br)oc2ccc(Cl)cc12
InChIInChI=1S/C16H11BrClNO2/c1-9-11-8-10(18)6-7-14(11)21-15(9)16(20)19-13-5-3-2-4-12(13)17/h2-8H,1H3,(H,19,20)
InChIKeyVFXUROLHYKJZAN-UHFFFAOYSA-N
MW364.63 g/mol
LogP5.41
Rot. Bonds2

About N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 27843870) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID27843870
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC NameN-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Br)oc2ccc(Cl)cc12
InChIInChI=1S/C16H11BrClNO2/c1-9-11-8-10(18)6-7-14(11)21-15(9)16(20)19-13-5-3-2-4-12(13)17/h2-8H,1H3,(H,19,20)
InChIKeyVFXUROLHYKJZAN-UHFFFAOYSA-N
XLogP5.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4543107
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013415
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 27843870) is N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Br)oc2ccc(Cl)cc12.
What is the InChIKey of N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VFXUROLHYKJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-9-11-8-10(18)6-7-14(11)21-15(9)16(20)19-13-5-3-2-4-12(13)17/h2-8H,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 364.63 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27843870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).