1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde

C19H15Cl2NO3 — CID 102552616

IUPAC1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1C(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2NO3/c1-11-15(10-23)14-5-3-4-6-17(14)22(11)19(24)12(2)25-18-8-7-13(20)9-16(18)21/h3-10,12H,1-2H3
InChIKeyOBEAFNIUYXTUBJ-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.18
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde

1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde (PubChem CID 102552616) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde
PubChem CID102552616
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1C(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2NO3/c1-11-15(10-23)14-5-3-4-6-17(14)22(11)19(24)12(2)25-18-8-7-13(20)9-16(18)21/h3-10,12H,1-2H3
InChIKeyOBEAFNIUYXTUBJ-UHFFFAOYSA-N
XLogP5.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]indole-3-carboxylic acid
CID 99969716
1-(3-chlorobenzoyl)-2-methylindole-3-carbaldehyde
CID 91690380
2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one
CID 2898826
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 26201301
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
4-benzylidene-2-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-5-methylpyrazol-3-one
CID 6977164
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde (CID 102552616) is 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1C(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde?
The InChIKey is OBEAFNIUYXTUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-11-15(10-23)14-5-3-4-6-17(14)22(11)19(24)12(2)25-18-8-7-13(20)9-16(18)21/h3-10,12H,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde?
1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde has a molecular weight of 376.24 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde is sourced from PubChem (CID 102552616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).