2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide

C25H21ClN2O2 — CID 18871988

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)Cc3coc4cc(C)c(Cl)cc34)ccc21
InChIInChI=1S/C25H21ClN2O2/c1-3-28-22-7-5-4-6-18(22)20-12-17(8-9-23(20)28)27-25(29)11-16-14-30-24-10-15(2)21(26)13-19(16)24/h4-10,12-14H,3,11H2,1-2H3,(H,27,29)
InChIKeyGBWHJIAPBJRSAZ-UHFFFAOYSA-N
MW416.91 g/mol
LogP6.70
Rot. Bonds4

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 18871988) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID18871988
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)Cc3coc4cc(C)c(Cl)cc34)ccc21
InChIInChI=1S/C25H21ClN2O2/c1-3-28-22-7-5-4-6-18(22)20-12-17(8-9-23(20)28)27-25(29)11-16-14-30-24-10-15(2)21(26)13-19(16)24/h4-10,12-14H,3,11H2,1-2H3,(H,27,29)
InChIKeyGBWHJIAPBJRSAZ-UHFFFAOYSA-N
XLogP6.70
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 2463764
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide (CID 18871988) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)Cc3coc4cc(C)c(Cl)cc34)ccc21.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is GBWHJIAPBJRSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-3-28-22-7-5-4-6-18(22)20-12-17(8-9-23(20)28)27-25(29)11-16-14-30-24-10-15(2)21(26)13-19(16)24/h4-10,12-14H,3,11H2,1-2H3,(H,27,29).
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 416.91 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 18871988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).