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

C18H14N2O4 — CID 91277037

IUPACN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3C=O)c1
InChIInChI=1S/C18H14N2O4/c1-10(22)19-13-4-2-3-11(7-13)17(23)12-5-6-14-15(9-21)18(24)20-16(14)8-12/h2-9,15H,1H3,(H,19,22)(H,20,24)
InChIKeyNUHLDTLVWJMEDO-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.11
Rot. Bonds4

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

N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide (PubChem CID 91277037) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide
PubChem CID91277037
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3C=O)c1
InChIInChI=1S/C18H14N2O4/c1-10(22)19-13-4-2-3-11(7-13)17(23)12-5-6-14-15(9-21)18(24)20-16(14)8-12/h2-9,15H,1H3,(H,19,22)(H,20,24)
InChIKeyNUHLDTLVWJMEDO-UHFFFAOYSA-N
XLogP2.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.11
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]-2-methylbenzamide
CID 91290164
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide
CID 91404069
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
CID 90967686
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
CID 98093390
N-[3-[3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 90837685
1-(3-methoxyphenyl)-3-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]urea
CID 91011212
1-(3,5-dimethoxyphenyl)-3-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]urea
CID 91035542
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
2-methyl-N-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90882261
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91573470
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide (CID 91277037) is N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide is CC(=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]acetamide?
The InChIKey is NUHLDTLVWJMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10(22)19-13-4-2-3-11(7-13)17(23)12-5-6-14-15(9-21)18(24)20-16(14)8-12/h2-9,15H,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide?
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide has a molecular weight of 322.32 g/mol, XLogP of 2.11, 4 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]acetamide is sourced from PubChem (CID 91277037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).