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

C18H18N4O — CID 110512121

IUPAC2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
SMILESCCn1cc(/C=N\NC(=O)c2ccccc2N)c2ccccc21
InChIInChI=1S/C18H18N4O/c1-2-22-12-13(14-7-4-6-10-17(14)22)11-20-21-18(23)15-8-3-5-9-16(15)19/h3-12H,2,19H2,1H3,(H,21,23)/b20-11-
InChIKeyQKPKQLHCKQFKSP-JAIQZWGSSA-N
MW306.37 g/mol
LogP3.01
Rot. Bonds4

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

2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide (PubChem CID 110512121) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
PubChem CID110512121
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
SMILESCCn1cc(/C=N\NC(=O)c2ccccc2N)c2ccccc21
InChIInChI=1S/C18H18N4O/c1-2-22-12-13(14-7-4-6-10-17(14)22)11-20-21-18(23)15-8-3-5-9-16(15)19/h3-12H,2,19H2,1H3,(H,21,23)/b20-11-
InChIKeyQKPKQLHCKQFKSP-JAIQZWGSSA-N
XLogP3.01
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.01
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

[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
CID 967738
2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 126378231
N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 126184329
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 126364382
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide (CID 110512121) is 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide is CCn1cc(/C=N\NC(=O)c2ccccc2N)c2ccccc21.
What is the InChIKey of 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide?
The InChIKey is QKPKQLHCKQFKSP-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-22-12-13(14-7-4-6-10-17(14)22)11-20-21-18(23)15-8-3-5-9-16(15)19/h3-12H,2,19H2,1H3,(H,21,23)/b20-11-.
What are the key properties of 2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide?
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.01, 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-ethylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 110512121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).