4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide

C22H23ClN2O3 — CID 110609573

IUPAC4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C22H23ClN2O3/c1-14(2)22(28)25-12-11-15-13-16(7-8-19(15)25)24-21(27)10-9-20(26)17-5-3-4-6-18(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)
InChIKeyLROSDVPHSHCZJZ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.49
Rot. Bonds6

About 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide

4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide (PubChem CID 110609573) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
PubChem CID110609573
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C22H23ClN2O3/c1-14(2)22(28)25-12-11-15-13-16(7-8-19(15)25)24-21(27)10-9-20(26)17-5-3-4-6-18(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)
InChIKeyLROSDVPHSHCZJZ-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110356694
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553
2-(2,4-dichlorophenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498754
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
CID 110609563
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358449
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide (CID 110609573) is 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide is CC(C)C(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide?
The InChIKey is LROSDVPHSHCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-14(2)22(28)25-12-11-15-13-16(7-8-19(15)25)24-21(27)10-9-20(26)17-5-3-4-6-18(17)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide?
4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide has a molecular weight of 398.89 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide is sourced from PubChem (CID 110609573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).