4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H15ClN2O2 — CID 5416523

IUPAC4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H15ClN2O2/c1-24-18-11-8-14(16-4-2-3-5-17(16)18)12-21-22-19(23)13-6-9-15(20)10-7-13/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyQRUUOQARFZRYAI-MTJSOVHGSA-N
MW338.79 g/mol
LogP4.27
Rot. Bonds4

About 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 5416523) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID5416523
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H15ClN2O2/c1-24-18-11-8-14(16-4-2-3-5-17(16)18)12-21-22-19(23)13-6-9-15(20)10-7-13/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyQRUUOQARFZRYAI-MTJSOVHGSA-N
XLogP4.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 4519390
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 5416523) is 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is QRUUOQARFZRYAI-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-24-18-11-8-14(16-4-2-3-5-17(16)18)12-21-22-19(23)13-6-9-15(20)10-7-13/h2-12H,1H3,(H,22,23)/b21-12-.
What are the key properties of 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 338.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 5416523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).