N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C19H18ClNO2 — CID 3946698

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2coc3cc(C)ccc23)c(Cl)c1
InChIInChI=1S/C19H18ClNO2/c1-11-4-5-15-14(10-23-17(15)8-11)9-18(22)21-19-13(3)6-12(2)7-16(19)20/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyKEOGNLMHTKHFMA-UHFFFAOYSA-N
MW327.81 g/mol
LogP5.19
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 3946698) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID3946698
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2coc3cc(C)ccc23)c(Cl)c1
InChIInChI=1S/C19H18ClNO2/c1-11-4-5-15-14(10-23-17(15)8-11)9-18(22)21-19-13(3)6-12(2)7-16(19)20/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyKEOGNLMHTKHFMA-UHFFFAOYSA-N
XLogP5.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 17444398
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N-[5-chloro-2-(dimethylamino)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 55336509
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 3946698) is N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c(NC(=O)Cc2coc3cc(C)ccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is KEOGNLMHTKHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-11-4-5-15-14(10-23-17(15)8-11)9-18(22)21-19-13(3)6-12(2)7-16(19)20/h4-8,10H,9H2,1-3H3,(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 3946698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).