2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide

C22H23ClN2O5 — CID 11853321

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NOCCCO)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5/c1-14-18(13-21(27)24-30-11-3-10-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)
InChIKeyIKHHVQRHKWOTPI-UHFFFAOYSA-N
MW430.89 g/mol
LogP3.27
Rot. Bonds8

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide (PubChem CID 11853321) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide
PubChem CID11853321
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NOCCCO)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5/c1-14-18(13-21(27)24-30-11-3-10-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)
InChIKeyIKHHVQRHKWOTPI-UHFFFAOYSA-N
XLogP3.27
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 166450376
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide (CID 11853321) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide is COc1ccc2c(c1)c(CC(=O)NOCCCO)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide?
The InChIKey is IKHHVQRHKWOTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-14-18(13-21(27)24-30-11-3-10-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide has a molecular weight of 430.89 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide is sourced from PubChem (CID 11853321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).