2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide

C18H17ClN2O2 — CID 66761528

IUPAC2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)Cc3cc(Cl)ccc32)cc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-3-5-15(7-12(11)2)20-17(22)10-21-16-6-4-14(19)8-13(16)9-18(21)23/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyKHQFYGKXNFSRCE-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 66761528) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID66761528
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)Cc3cc(Cl)ccc32)cc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-3-5-15(7-12(11)2)20-17(22)10-21-16-6-4-14(19)8-13(16)9-18(21)23/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyKHQFYGKXNFSRCE-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 11336081
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
N-(3,4-dimethylphenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686754
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 11335457
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 67247022
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 53122542
1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375770
N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51046957
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-[5-[(5-chloro-2-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 1209412

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 66761528) is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)Cc3cc(Cl)ccc32)cc1C.
What is the InChIKey of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is KHQFYGKXNFSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-3-5-15(7-12(11)2)20-17(22)10-21-16-6-4-14(19)8-13(16)9-18(21)23/h3-8H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 66761528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).