2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H15ClN2O2 — CID 5396822

IUPAC2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O2/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-21-22-19(23)15-8-4-5-9-17(15)20/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyQAGUGEICQCRPCX-MTJSOVHGSA-N
MW338.79 g/mol
LogP4.27
Rot. Bonds4

About 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide

2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 5396822) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID5396822
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O2/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-21-22-19(23)15-8-4-5-9-17(15)20/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyQAGUGEICQCRPCX-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

2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
N-[(Z)-(2,4-dichloro-6-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 6220811
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
CID 177386306
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 3779097
[1-[(Z)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6290082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 5396822) is 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is QAGUGEICQCRPCX-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-21-22-19(23)15-8-4-5-9-17(15)20/h2-12H,1H3,(H,22,23)/b21-12-.
What are the key properties of 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2-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 2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 5396822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).