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

C18H16N4O2 — CID 3879829

IUPACN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
SMILESNC(=O)Cn1cc(C=NNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N4O2/c19-17(23)12-22-11-14(15-8-4-5-9-16(15)22)10-20-21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,23)(H,21,24)
InChIKeyWDLNNBXQLNCBMA-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.89
Rot. Bonds5

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

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide (PubChem CID 3879829) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
PubChem CID3879829
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
SMILESNC(=O)Cn1cc(C=NNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N4O2/c19-17(23)12-22-11-14(15-8-4-5-9-16(15)22)10-20-21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,23)(H,21,24)
InChIKeyWDLNNBXQLNCBMA-UHFFFAOYSA-N
XLogP1.89
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]benzamide
CID 9058755
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
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]-2-(2-methoxyanilino)propanamide
CID 71947279
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide (CID 3879829) is N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is NC(=O)Cn1cc(C=NNC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
The InChIKey is WDLNNBXQLNCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-17(23)12-22-11-14(15-8-4-5-9-16(15)22)10-20-21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,23)(H,21,24).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 3879829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).