N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide

C16H15N3O — CID 135622886

IUPACN-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide
SMILESCC(=O)N(/N=C1\CNc2ccccc21)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12(20)19(13-7-3-2-4-8-13)18-16-11-17-15-10-6-5-9-14(15)16/h2-10,17H,11H2,1H3/b18-16+
InChIKeyPFIVDWJVKUUSAC-FBMGVBCBSA-N
MW265.32 g/mol
LogP2.87
Rot. Bonds2

About N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide

N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide (PubChem CID 135622886) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide
PubChem CID135622886
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide
SMILESCC(=O)N(/N=C1\CNc2ccccc21)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12(20)19(13-7-3-2-4-8-13)18-16-11-17-15-10-6-5-9-14(15)16/h2-10,17H,11H2,1H3/b18-16+
InChIKeyPFIVDWJVKUUSAC-FBMGVBCBSA-N
XLogP2.87
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 136641843
3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;2,2,2-trifluoroacetic acid
CID 22905129
N-(3-methyl-2-pyridinyl)-N-phenylacetamide
CID 54093992
biphenylene;2-methylprop-2-enoic acid
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biphenylene;propan-2-one
CID 174440223
2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid
CID 175847816
(E)-N-methoxy-2,3-dihydro-1H-quinolin-4-imine
CID 136619754
N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
CID 154340640
N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687227
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687228

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide?
The IUPAC name of N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide (CID 135622886) is N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide.
What is the SMILES notation for N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide?
The canonical SMILES for N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide is CC(=O)N(/N=C1\CNc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide?
The InChIKey is PFIVDWJVKUUSAC-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(20)19(13-7-3-2-4-8-13)18-16-11-17-15-10-6-5-9-14(15)16/h2-10,17H,11H2,1H3/b18-16+.
What are the key properties of N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide?
N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide has a molecular weight of 265.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide is sourced from PubChem (CID 135622886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).