N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide

C22H17N3O2 — CID 90988690

IUPACN-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide
SMILESO=CNc1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C22H17N3O2/c26-14-23-16-9-6-10-17(13-16)24-21(15-7-2-1-3-8-15)20-18-11-4-5-12-19(18)25-22(20)27/h1-14,20H,(H,23,26)(H,25,27)/b24-21+
InChIKeyDBCJMRQDJJHRAJ-DARPEHSRSA-N
MW355.40 g/mol
LogP4.11
Rot. Bonds5

About N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide

N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide (PubChem CID 90988690) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide
PubChem CID90988690
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide
SMILESO=CNc1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C22H17N3O2/c26-14-23-16-9-6-10-17(13-16)24-21(15-7-2-1-3-8-15)20-18-11-4-5-12-19(18)25-22(20)27/h1-14,20H,(H,23,26)(H,25,27)/b24-21+
InChIKeyDBCJMRQDJJHRAJ-DARPEHSRSA-N
XLogP4.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide?
The IUPAC name of N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide (CID 90988690) is N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide.
What is the SMILES notation for N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide?
The canonical SMILES for N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide is O=CNc1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1.
What is the InChIKey of N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide?
The InChIKey is DBCJMRQDJJHRAJ-DARPEHSRSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-14-23-16-9-6-10-17(13-16)24-21(15-7-2-1-3-8-15)20-18-11-4-5-12-19(18)25-22(20)27/h1-14,20H,(H,23,26)(H,25,27)/b24-21+.
What are the key properties of N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide?
N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide has a molecular weight of 355.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide is sourced from PubChem (CID 90988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).