N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide

C18H14Cl2N2O2 — CID 4201665

IUPACN-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
SMILESCc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-11-14(10-23)13-4-2-3-5-17(13)22(11)9-18(24)21-16-8-12(19)6-7-15(16)20/h2-8,10H,9H2,1H3,(H,21,24)
InChIKeyRZQJIXWXFYNWFM-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.71
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide

N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide (PubChem CID 4201665) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
PubChem CID4201665
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
SMILESCc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-11-14(10-23)13-4-2-3-5-17(13)22(11)9-18(24)21-16-8-12(19)6-7-15(16)20/h2-8,10H,9H2,1H3,(H,21,24)
InChIKeyRZQJIXWXFYNWFM-UHFFFAOYSA-N
XLogP4.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802610
N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 965806
2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 976850
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
N-(2,5-dichlorophenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763973
N-(5-chloro-2-hydroxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767959
2-(3-formyl-2-methylindol-1-yl)acetate
CID 5175467
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291
N-(2,3-dichlorophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767922
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide (CID 4201665) is N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide is Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
The InChIKey is RZQJIXWXFYNWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-11-14(10-23)13-4-2-3-5-17(13)22(11)9-18(24)21-16-8-12(19)6-7-15(16)20/h2-8,10H,9H2,1H3,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide has a molecular weight of 361.23 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide is sourced from PubChem (CID 4201665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).