3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

C18H16IN3O2 — CID 135931425

IUPAC3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1I
InChIInChI=1S/C18H16IN3O2/c1-11-14(13-5-3-4-6-16(13)21-11)10-20-22-18(23)12-7-8-17(24-2)15(19)9-12/h3-10,21H,1-2H3,(H,22,23)/b20-10-
InChIKeyDRGHZNKXHQYQDZ-JMIUGGIZSA-N
MW433.25 g/mol
LogP3.85
Rot. Bonds4

About 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135931425) has the molecular formula C18H16IN3O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135931425
Molecular FormulaC18H16IN3O2
Molecular Weight433.25 g/mol
Exact Mass433.03
IUPAC Name3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1I
InChIInChI=1S/C18H16IN3O2/c1-11-14(13-5-3-4-6-16(13)21-11)10-20-22-18(23)12-7-8-17(24-2)15(19)9-12/h3-10,21H,1-2H3,(H,22,23)/b20-10-
InChIKeyDRGHZNKXHQYQDZ-JMIUGGIZSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3,4-dimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135650440
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
3,4,5-trimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648148
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136820467
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
(4S)-4-(3,4-dimethoxyphenyl)-6-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1240450
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135931425) is 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is DRGHZNKXHQYQDZ-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16IN3O2/c1-11-14(13-5-3-4-6-16(13)21-11)10-20-22-18(23)12-7-8-17(24-2)15(19)9-12/h3-10,21H,1-2H3,(H,22,23)/b20-10-.
What are the key properties of 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 433.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135931425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).