N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide

C20H16N4O3 — CID 3919047

IUPACN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESNC(=O)Cn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C20H16N4O3/c21-19(25)12-24-11-14(15-6-2-3-7-16(15)24)10-22-23-20(26)18-9-13-5-1-4-8-17(13)27-18/h1-11H,12H2,(H2,21,25)(H,23,26)
InChIKeyPMTVALFOWHYDRW-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.64
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 3919047) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID3919047
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESNC(=O)Cn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C20H16N4O3/c21-19(25)12-24-11-14(15-6-2-3-7-16(15)24)10-22-23-20(26)18-9-13-5-1-4-8-17(13)27-18/h1-11H,12H2,(H2,21,25)(H,23,26)
InChIKeyPMTVALFOWHYDRW-UHFFFAOYSA-N
XLogP2.64
TPSA102.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 3342706
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[(E)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 124528135
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-5-nitro-1-benzofuran-2-carboxamide
CID 3968013
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 126225126
5-bromo-7-iodo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022240
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide (CID 3919047) is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is NC(=O)Cn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is PMTVALFOWHYDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c21-19(25)12-24-11-14(15-6-2-3-7-16(15)24)10-22-23-20(26)18-9-13-5-1-4-8-17(13)27-18/h1-11H,12H2,(H2,21,25)(H,23,26).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide?
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3919047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).