4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide

C24H21ClN2O2 — CID 53043801

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
SMILESCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ccc21
InChIInChI=1S/C24H21ClN2O2/c1-16(28)27-13-12-21-14-20(8-11-23(21)27)18-4-6-19(7-5-18)24(29)26-15-17-2-9-22(25)10-3-17/h2-11,14H,12-13,15H2,1H3,(H,26,29)
InChIKeyYATQBZIJMPFLER-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.85
Rot. Bonds4

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide (PubChem CID 53043801) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
PubChem CID53043801
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
SMILESCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ccc21
InChIInChI=1S/C24H21ClN2O2/c1-16(28)27-13-12-21-14-20(8-11-23(21)27)18-4-6-19(7-5-18)24(29)26-15-17-2-9-22(25)10-3-17/h2-11,14H,12-13,15H2,1H3,(H,26,29)
InChIKeyYATQBZIJMPFLER-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300
1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166218488
2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193599
2-acetyl-N-[(4-chlorophenyl)methyl]-10-(3-methylbutyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 133074142

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide (CID 53043801) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide is CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ccc21.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide?
The InChIKey is YATQBZIJMPFLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16(28)27-13-12-21-14-20(8-11-23(21)27)18-4-6-19(7-5-18)24(29)26-15-17-2-9-22(25)10-3-17/h2-11,14H,12-13,15H2,1H3,(H,26,29).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide?
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 53043801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).