2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide

C18H17IN4O — CID 126182020

IUPAC2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCn1cc(/C=N\NC(=O)CNc2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C18H17IN4O/c1-23-12-13(16-4-2-3-5-17(16)23)10-21-22-18(24)11-20-15-8-6-14(19)7-9-15/h2-10,12,20H,11H2,1H3,(H,22,24)/b21-10-
InChIKeyBNUFDDPUWHZHRF-FBHDLOMBSA-N
MW432.27 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide

2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide (PubChem CID 126182020) has the molecular formula C18H17IN4O and a molecular weight of 432.27 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
PubChem CID126182020
Molecular FormulaC18H17IN4O
Molecular Weight432.27 g/mol
Exact Mass432.04
IUPAC Name2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCn1cc(/C=N\NC(=O)CNc2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C18H17IN4O/c1-23-12-13(16-4-2-3-5-17(16)23)10-21-22-18(24)11-20-15-8-6-14(19)7-9-15/h2-10,12,20H,11H2,1H3,(H,22,24)/b21-10-
InChIKeyBNUFDDPUWHZHRF-FBHDLOMBSA-N
XLogP3.35
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3916491
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
2-(4-chloroanilino)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126369473
2-(4-iodoanilino)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126371307
3,4,5-trimethoxy-N-[2-[(2E)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980592

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide (CID 126182020) is 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide is Cn1cc(/C=N\NC(=O)CNc2ccc(I)cc2)c2ccccc21.
What is the InChIKey of 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The InChIKey is BNUFDDPUWHZHRF-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H17IN4O/c1-23-12-13(16-4-2-3-5-17(16)23)10-21-22-18(24)11-20-15-8-6-14(19)7-9-15/h2-10,12,20H,11H2,1H3,(H,22,24)/b21-10-.
What are the key properties of 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide has a molecular weight of 432.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126182020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).