N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide

C25H24ClN3O3 — CID 141447393

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide
SMILESCc1cc2c(n1CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1)CCCC2=O
InChIInChI=1S/C25H24ClN3O3/c1-17-14-21-22(8-5-9-23(21)30)28(17)16-25(32)29(20-6-3-2-4-7-20)15-24(31)27-19-12-10-18(26)11-13-19/h2-4,6-7,10-14H,5,8-9,15-16H2,1H3,(H,27,31)
InChIKeyFCTLRZVVNFYTOR-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide

N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide (PubChem CID 141447393) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide
PubChem CID141447393
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide
SMILESCc1cc2c(n1CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1)CCCC2=O
InChIInChI=1S/C25H24ClN3O3/c1-17-14-21-22(8-5-9-23(21)30)28(17)16-25(32)29(20-6-3-2-4-7-20)15-24(31)27-19-12-10-18(26)11-13-19/h2-4,6-7,10-14H,5,8-9,15-16H2,1H3,(H,27,31)
InChIKeyFCTLRZVVNFYTOR-UHFFFAOYSA-N
XLogP4.64
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
methyl 3-[acetyl-[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 113176290
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide
CID 30922930
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide (CID 141447393) is N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide is Cc1cc2c(n1CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1)CCCC2=O.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide?
The InChIKey is FCTLRZVVNFYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-17-14-21-22(8-5-9-23(21)30)28(17)16-25(32)29(20-6-3-2-4-7-20)15-24(31)27-19-12-10-18(26)11-13-19/h2-4,6-7,10-14H,5,8-9,15-16H2,1H3,(H,27,31).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide has a molecular weight of 449.94 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 141447393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).