N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide

C17H16ClIN2O3 — CID 5430843

IUPACN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
SMILESCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)cc1OC
InChIInChI=1S/C17H16ClIN2O3/c1-3-24-16-14(18)7-11(8-15(16)23-2)10-20-21-17(22)12-5-4-6-13(19)9-12/h4-10H,3H2,1-2H3,(H,21,22)/b20-10-
InChIKeyBGIPRBPPSKNSKS-JMIUGGIZSA-N
MW458.68 g/mol
LogP4.12
Rot. Bonds6

About N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide

N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide (PubChem CID 5430843) has the molecular formula C17H16ClIN2O3 and a molecular weight of 458.68 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
PubChem CID5430843
Molecular FormulaC17H16ClIN2O3
Molecular Weight458.68 g/mol
Exact Mass457.99
IUPAC NameN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
SMILESCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)cc1OC
InChIInChI=1S/C17H16ClIN2O3/c1-3-24-16-14(18)7-11(8-15(16)23-2)10-20-21-17(22)12-5-4-6-13(19)9-12/h4-10H,3H2,1-2H3,(H,21,22)/b20-10-
InChIKeyBGIPRBPPSKNSKS-JMIUGGIZSA-N
XLogP4.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.68
LogP ≤ 54.12
H-Bond Donors ≤ 51
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

N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460784
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638
2-[2-chloro-6-methoxy-4-[(Z)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126266876
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126331394
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5332284
N-[(E)-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126324368
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126337761
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
3-[[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126198234

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide (CID 5430843) is N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide is CCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)cc1OC.
What is the InChIKey of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide?
The InChIKey is BGIPRBPPSKNSKS-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16ClIN2O3/c1-3-24-16-14(18)7-11(8-15(16)23-2)10-20-21-17(22)12-5-4-6-13(19)9-12/h4-10H,3H2,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide?
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide has a molecular weight of 458.68 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 5430843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).