N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

C20H20ClN3O3 — CID 110526834

IUPACN-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-4-27-19-15(21)9-13(10-18(19)26-3)12-22-23-20(25)17-11-14-7-5-6-8-16(14)24(17)2/h5-12H,4H2,1-3H3,(H,23,25)/b22-12+
InChIKeyJOHAIKVSAHVZNK-WSDLNYQXSA-N
MW385.85 g/mol
LogP4.00
Rot. Bonds6

About N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (PubChem CID 110526834) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
PubChem CID110526834
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-4-27-19-15(21)9-13(10-18(19)26-3)12-22-23-20(25)17-11-14-7-5-6-8-16(14)24(17)2/h5-12H,4H2,1-3H3,(H,23,25)/b22-12+
InChIKeyJOHAIKVSAHVZNK-WSDLNYQXSA-N
XLogP4.00
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526800
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526723
N-[(E)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526822
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526735
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460784
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3279486
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518654

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (CID 110526834) is N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OC.
What is the InChIKey of N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The InChIKey is JOHAIKVSAHVZNK-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-4-27-19-15(21)9-13(10-18(19)26-3)12-22-23-20(25)17-11-14-7-5-6-8-16(14)24(17)2/h5-12H,4H2,1-3H3,(H,23,25)/b22-12+.
What are the key properties of N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 110526834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).