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

C25H24N2O2 — CID 95081623

IUPACN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
SMILESC[C@H]1Cc2ccc(CNC(=O)Cc3ccccc3)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18-14-22-13-12-20(17-26-24(28)16-19-8-4-2-5-9-19)15-23(22)27(18)25(29)21-10-6-3-7-11-21/h2-13,15,18H,14,16-17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyFINQSHIDKMOBJT-SFHVURJKSA-N
MW384.48 g/mol
LogP4.14
Rot. Bonds5

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

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide (PubChem CID 95081623) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
PubChem CID95081623
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
SMILESC[C@H]1Cc2ccc(CNC(=O)Cc3ccccc3)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18-14-22-13-12-20(17-26-24(28)16-19-8-4-2-5-9-19)15-23(22)27(18)25(29)21-10-6-3-7-11-21/h2-13,15,18H,14,16-17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyFINQSHIDKMOBJT-SFHVURJKSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
CID 53099625
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide
CID 53099429
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
CID 95081549
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(2-ethylphenyl)urea
CID 53099590
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 95081696
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099410
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
CID 53099574

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide (CID 95081623) is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide is C[C@H]1Cc2ccc(CNC(=O)Cc3ccccc3)cc2N1C(=O)c1ccccc1.
What is the InChIKey of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide?
The InChIKey is FINQSHIDKMOBJT-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-14-22-13-12-20(17-26-24(28)16-19-8-4-2-5-9-19)15-23(22)27(18)25(29)21-10-6-3-7-11-21/h2-13,15,18H,14,16-17H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide?
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide has a molecular weight of 384.48 g/mol, XLogP of 4.14, 5 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]-2-phenylacetamide is sourced from PubChem (CID 95081623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).