2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide

C19H21ClN2O2 — CID 7782249

IUPAC2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-3-6-13-24-16-11-9-15(10-12-16)14-21-22-19(23)17-7-4-5-8-18(17)20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,23)/b21-14-
InChIKeyBSYCGZOOSUMZTF-STZFKDTASA-N
MW344.84 g/mol
LogP4.67
Rot. Bonds8

About 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide (PubChem CID 7782249) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
PubChem CID7782249
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-3-6-13-24-16-11-9-15(10-12-16)14-21-22-19(23)17-7-4-5-8-18(17)20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,23)/b21-14-
InChIKeyBSYCGZOOSUMZTF-STZFKDTASA-N
XLogP4.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6298562
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6908234
1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523605
N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329565
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6061820
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-(benzylideneamino)-2,4-dihexoxybenzamide
CID 162378074
2-[(4-fluorobenzoyl)amino]-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3671539
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide (CID 7782249) is 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide is CCCCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide?
The InChIKey is BSYCGZOOSUMZTF-STZFKDTASA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-3-6-13-24-16-11-9-15(10-12-16)14-21-22-19(23)17-7-4-5-8-18(17)20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,23)/b21-14-.
What are the key properties of 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide has a molecular weight of 344.84 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 7782249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).