N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide

C16H11Cl2NO2 — CID 100795319

IUPACN-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)oc12
InChIInChI=1S/C16H11Cl2NO2/c1-9-3-2-4-10-5-14(21-15(9)10)16(20)19-13-7-11(17)6-12(18)8-13/h2-8H,1H3,(H,19,20)
InChIKeyDTZPAAZBXUBBHM-UHFFFAOYSA-N
MW320.18 g/mol
LogP5.30
Rot. Bonds2

About N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide

N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 100795319) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
PubChem CID100795319
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC NameN-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)oc12
InChIInChI=1S/C16H11Cl2NO2/c1-9-3-2-4-10-5-14(21-15(9)10)16(20)19-13-7-11(17)6-12(18)8-13/h2-8H,1H3,(H,19,20)
InChIKeyDTZPAAZBXUBBHM-UHFFFAOYSA-N
XLogP5.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.18
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 75429273
N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide (CID 100795319) is N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide is Cc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)oc12.
What is the InChIKey of N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DTZPAAZBXUBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-9-3-2-4-10-5-14(21-15(9)10)16(20)19-13-7-11(17)6-12(18)8-13/h2-8H,1H3,(H,19,20).
What are the key properties of N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide?
N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 100795319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).