2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide

C19H20N4O — CID 110512126

IUPAC2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
SMILESCCn1c(C)c(/C=N\NC(=O)c2ccccc2N)c2ccccc21
InChIInChI=1S/C19H20N4O/c1-3-23-13(2)16(14-8-5-7-11-18(14)23)12-21-22-19(24)15-9-4-6-10-17(15)20/h4-12H,3,20H2,1-2H3,(H,22,24)/b21-12-
InChIKeyBBSBLYQTYWKSOM-MTJSOVHGSA-N
MW320.40 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide

2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide (PubChem CID 110512126) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
PubChem CID110512126
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
SMILESCCn1c(C)c(/C=N\NC(=O)c2ccccc2N)c2ccccc21
InChIInChI=1S/C19H20N4O/c1-3-23-13(2)16(14-8-5-7-11-18(14)23)12-21-22-19(24)15-9-4-6-10-17(15)20/h4-12H,3,20H2,1-2H3,(H,22,24)/b21-12-
InChIKeyBBSBLYQTYWKSOM-MTJSOVHGSA-N
XLogP3.32
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 126375327
1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524186
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
2-hydroxy-N-[(E)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 21380028
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541
1-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-3-phenylthiourea
CID 110508605
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 3637449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide (CID 110512126) is 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide is CCn1c(C)c(/C=N\NC(=O)c2ccccc2N)c2ccccc21.
What is the InChIKey of 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The InChIKey is BBSBLYQTYWKSOM-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-23-13(2)16(14-8-5-7-11-18(14)23)12-21-22-19(24)15-9-4-6-10-17(15)20/h4-12H,3,20H2,1-2H3,(H,22,24)/b21-12-.
What are the key properties of 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 110512126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).