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

C21H19ClN2O2 — CID 9016239

IUPAC2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O2/c1-2-13-26-20-12-11-15-7-3-4-8-16(15)18(20)14-23-24-21(25)17-9-5-6-10-19(17)22/h3-12,14H,2,13H2,1H3,(H,24,25)/b23-14-
InChIKeyOMACSKRHITXAAW-UCQKPKSFSA-N
MW366.85 g/mol
LogP5.05
Rot. Bonds6

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

2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 9016239) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID9016239
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O2/c1-2-13-26-20-12-11-15-7-3-4-8-16(15)18(20)14-23-24-21(25)17-9-5-6-10-19(17)22/h3-12,14H,2,13H2,1H3,(H,24,25)/b23-14-
InChIKeyOMACSKRHITXAAW-UCQKPKSFSA-N
XLogP5.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.05
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-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
2-methoxy-4-methyl-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126017623
N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
CID 9120788
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
2-amino-N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 21370937
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3990640
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
[1-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6164462
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide (CID 9016239) is 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide is CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is OMACSKRHITXAAW-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-2-13-26-20-12-11-15-7-3-4-8-16(15)18(20)14-23-24-21(25)17-9-5-6-10-19(17)22/h3-12,14H,2,13H2,1H3,(H,24,25)/b23-14-.
What are the key properties of 2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 366.85 g/mol, XLogP of 5.05, 6 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-propoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 9016239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).