3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide

C19H20ClN3O — CID 5426050

IUPAC3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
SMILESCc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O/c1-14-11-18(23-9-2-3-10-23)8-7-16(14)13-21-22-19(24)15-5-4-6-17(20)12-15/h4-8,11-13H,2-3,9-10H2,1H3,(H,22,24)/b21-13-
InChIKeyQHSXGBNXMDIJBS-BKUYFWCQSA-N
MW341.84 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide

3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide (PubChem CID 5426050) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
PubChem CID5426050
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
SMILESCc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O/c1-14-11-18(23-9-2-3-10-23)8-7-16(14)13-21-22-19(24)15-5-4-6-17(20)12-15/h4-8,11-13H,2-3,9-10H2,1H3,(H,22,24)/b21-13-
InChIKeyQHSXGBNXMDIJBS-BKUYFWCQSA-N
XLogP4.01
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.01
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

2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126114950
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126246937
3-chloro-N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 92851158
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907606
4-iodo-3-methoxy-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126088890
3-chloro-N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]benzamide
CID 50855655
2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126074360
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
5-bromo-7-iodo-N-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5227780
4-hydroxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 126243453

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide (CID 5426050) is 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
The InChIKey is QHSXGBNXMDIJBS-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-14-11-18(23-9-2-3-10-23)8-7-16(14)13-21-22-19(24)15-5-4-6-17(20)12-15/h4-8,11-13H,2-3,9-10H2,1H3,(H,22,24)/b21-13-.
What are the key properties of 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide has a molecular weight of 341.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5426050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).