2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride

C19H15Cl2NO3 — CID 87578848

IUPAC2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride
SMILESCOc1ccc2c(c1)C(CC(=O)Cl)(C(=O)c1ccc(Cl)cc1)C(C)=N2
InChIInChI=1S/C19H15Cl2NO3/c1-11-19(10-17(21)23,18(24)12-3-5-13(20)6-4-12)15-9-14(25-2)7-8-16(15)22-11/h3-9H,10H2,1-2H3
InChIKeyUINLVOMAGCGGGU-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.73
Rot. Bonds5

About 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride

2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride (PubChem CID 87578848) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride.

Molecular Properties

Compound Name2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride
PubChem CID87578848
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride
SMILESCOc1ccc2c(c1)C(CC(=O)Cl)(C(=O)c1ccc(Cl)cc1)C(C)=N2
InChIInChI=1S/C19H15Cl2NO3/c1-11-19(10-17(21)23,18(24)12-3-5-13(20)6-4-12)15-9-14(25-2)7-8-16(15)22-11/h3-9H,10H2,1-2H3
InChIKeyUINLVOMAGCGGGU-UHFFFAOYSA-N
XLogP4.73
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride?
The IUPAC name of 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride (CID 87578848) is 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride.
What is the SMILES notation for 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride?
The canonical SMILES for 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride is COc1ccc2c(c1)C(CC(=O)Cl)(C(=O)c1ccc(Cl)cc1)C(C)=N2.
What is the InChIKey of 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride?
The InChIKey is UINLVOMAGCGGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-11-19(10-17(21)23,18(24)12-3-5-13(20)6-4-12)15-9-14(25-2)7-8-16(15)22-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride?
2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride has a molecular weight of 376.24 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride is sourced from PubChem (CID 87578848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).