2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide

C19H16ClN3O2 — CID 2477343

IUPAC2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccc[nH]1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O2/c20-17-9-3-1-6-14(17)13-25-18-10-4-2-8-16(18)19(24)23-22-12-15-7-5-11-21-15/h1-12,21H,13H2,(H,23,24)
InChIKeyLJZKQBQSFACXRQ-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.01
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide

2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide (PubChem CID 2477343) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
PubChem CID2477343
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccc[nH]1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O2/c20-17-9-3-1-6-14(17)13-25-18-10-4-2-8-16(18)19(24)23-22-12-15-7-5-11-21-15/h1-12,21H,13H2,(H,23,24)
InChIKeyLJZKQBQSFACXRQ-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
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-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
2-[(2-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 2574555
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
2-[(2-chlorophenyl)methoxy]-N-[(E)-(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19657256
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
CID 2367127
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 19657451
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 19657462

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide (CID 2477343) is 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide is O=C(NN=Cc1ccc[nH]1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
The InChIKey is LJZKQBQSFACXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-9-3-1-6-14(17)13-25-18-10-4-2-8-16(18)19(24)23-22-12-15-7-5-11-21-15/h1-12,21H,13H2,(H,23,24).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide has a molecular weight of 353.81 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 2477343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).