2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide

C17H18ClN3O3 — CID 110512074

IUPAC2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2N)cc(Cl)c1OC
InChIInChI=1S/C17H18ClN3O3/c1-3-24-15-9-11(8-13(18)16(15)23-2)10-20-21-17(22)12-6-4-5-7-14(12)19/h4-10H,3,19H2,1-2H3,(H,21,22)/b20-10-
InChIKeyVZGPWVWKKXHMRC-JMIUGGIZSA-N
MW347.80 g/mol
LogP3.09
Rot. Bonds6

About 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 110512074) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID110512074
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2N)cc(Cl)c1OC
InChIInChI=1S/C17H18ClN3O3/c1-3-24-15-9-11(8-13(18)16(15)23-2)10-20-21-17(22)12-6-4-5-7-14(12)19/h4-10H,3,19H2,1-2H3,(H,21,22)/b20-10-
InChIKeyVZGPWVWKKXHMRC-JMIUGGIZSA-N
XLogP3.09
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523722
2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 110512071
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 9235761
2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853
2-bromo-N-[(Z)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 124537102
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526800
N-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509267
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5024902

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide (CID 110512074) is 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2ccccc2N)cc(Cl)c1OC.
What is the InChIKey of 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is VZGPWVWKKXHMRC-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-3-24-15-9-11(8-13(18)16(15)23-2)10-20-21-17(22)12-6-4-5-7-14(12)19/h4-10H,3,19H2,1-2H3,(H,21,22)/b20-10-.
What are the key properties of 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 347.80 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).