N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide

C24H18N2O4 — CID 91290164

IUPACN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3C=O)c1
InChIInChI=1S/C24H18N2O4/c1-14-5-2-3-8-18(14)23(29)25-17-7-4-6-15(11-17)22(28)16-9-10-19-20(13-27)24(30)26-21(19)12-16/h2-13,20H,1H3,(H,25,29)(H,26,30)
InChIKeyBGLVNFIVRFFTMI-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.71
Rot. Bonds5

About N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide

N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 91290164) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide
PubChem CID91290164
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3C=O)c1
InChIInChI=1S/C24H18N2O4/c1-14-5-2-3-8-18(14)23(29)25-17-7-4-6-15(11-17)22(28)16-9-10-19-20(13-27)24(30)26-21(19)12-16/h2-13,20H,1H3,(H,25,29)(H,26,30)
InChIKeyBGLVNFIVRFFTMI-UHFFFAOYSA-N
XLogP3.71
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide
CID 91277037
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide
CID 91404069
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
CID 90967686
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-[3-[3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 90837685
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
CID 98093390
2,5-dimethyl-N-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91424261

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide (CID 91290164) is N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3C=O)c1.
What is the InChIKey of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is BGLVNFIVRFFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-14-5-2-3-8-18(14)23(29)25-17-7-4-6-15(11-17)22(28)16-9-10-19-20(13-27)24(30)26-21(19)12-16/h2-13,20H,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide?
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 398.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 91290164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).