N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide

C24H21ClN2O2 — CID 95081549

IUPACN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
SMILESC[C@H]1Cc2ccc(CNC(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C24H21ClN2O2/c1-16-12-19-11-10-17(15-26-23(28)20-8-5-9-21(25)14-20)13-22(19)27(16)24(29)18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyHCNFHSQZPDYHIC-INIZCTEOSA-N
MW404.90 g/mol
LogP4.86
Rot. Bonds4

About N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide (PubChem CID 95081549) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
PubChem CID95081549
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
SMILESC[C@H]1Cc2ccc(CNC(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C24H21ClN2O2/c1-16-12-19-11-10-17(15-26-23(28)20-8-5-9-21(25)14-20)13-22(19)27(16)24(29)18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyHCNFHSQZPDYHIC-INIZCTEOSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3-chlorophenyl)urea
CID 53099560
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
CID 95081780
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
CID 53099625
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109054414
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
CID 53099574
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
CID 53099569
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(2-ethylphenyl)urea
CID 53099590
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methylphenyl)urea
CID 95081804
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95059148

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide?
The IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide (CID 95081549) is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide.
What is the SMILES notation for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide?
The canonical SMILES for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide is C[C@H]1Cc2ccc(CNC(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1.
What is the InChIKey of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide?
The InChIKey is HCNFHSQZPDYHIC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16-12-19-11-10-17(15-26-23(28)20-8-5-9-21(25)14-20)13-22(19)27(16)24(29)18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide?
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide has a molecular weight of 404.90 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide is sourced from PubChem (CID 95081549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).