1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone

C24H21ClN2O3 — CID 42614024

IUPAC1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone
SMILESCOc1ccc2c(c1)c(CNc1ccccc1Oc1ccc(Cl)cc1)cn2C(C)=O
InChIInChI=1S/C24H21ClN2O3/c1-16(28)27-15-17(21-13-20(29-2)11-12-23(21)27)14-26-22-5-3-4-6-24(22)30-19-9-7-18(25)8-10-19/h3-13,15,26H,14H2,1-2H3
InChIKeyKBLCWHGSNHTNLA-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.37
Rot. Bonds6

About 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone

1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone (PubChem CID 42614024) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone
PubChem CID42614024
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone
SMILESCOc1ccc2c(c1)c(CNc1ccccc1Oc1ccc(Cl)cc1)cn2C(C)=O
InChIInChI=1S/C24H21ClN2O3/c1-16(28)27-15-17(21-13-20(29-2)11-12-23(21)27)14-26-22-5-3-4-6-24(22)30-19-9-7-18(25)8-10-19/h3-13,15,26H,14H2,1-2H3
InChIKeyKBLCWHGSNHTNLA-UHFFFAOYSA-N
XLogP6.37
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide
CID 71600681
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 2378303
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133022
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone (CID 42614024) is 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone is COc1ccc2c(c1)c(CNc1ccccc1Oc1ccc(Cl)cc1)cn2C(C)=O.
What is the InChIKey of 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone?
The InChIKey is KBLCWHGSNHTNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-16(28)27-15-17(21-13-20(29-2)11-12-23(21)27)14-26-22-5-3-4-6-24(22)30-19-9-7-18(25)8-10-19/h3-13,15,26H,14H2,1-2H3.
What are the key properties of 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone?
1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone has a molecular weight of 420.90 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone is sourced from PubChem (CID 42614024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).