2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide

C18H19ClN2O3 — CID 110509238

IUPAC2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C18H19ClN2O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)12-20-21-18(22)14-7-5-6-8-15(14)19/h5-12H,3-4H2,1-2H3,(H,21,22)/b20-12-
InChIKeySYHFEEQEVZTBKG-NDENLUEZSA-N
MW346.81 g/mol
LogP3.90
Rot. Bonds7

About 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide (PubChem CID 110509238) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
PubChem CID110509238
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C18H19ClN2O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)12-20-21-18(22)14-7-5-6-8-15(14)19/h5-12H,3-4H2,1-2H3,(H,21,22)/b20-12-
InChIKeySYHFEEQEVZTBKG-NDENLUEZSA-N
XLogP3.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110509220
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7369666
2-[2-(carboxymethoxy)-4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4205853
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 5170309
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077784
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-propoxybenzoate
CID 3725894
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide (CID 110509238) is 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide is CCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SYHFEEQEVZTBKG-NDENLUEZSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)12-20-21-18(22)14-7-5-6-8-15(14)19/h5-12H,3-4H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110509238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).