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

C13H13N3O2 — CID 136742500

IUPAC4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc[nH]2)cc1
InChIInChI=1S/C13H13N3O2/c1-18-12-6-4-10(5-7-12)13(17)16-15-9-11-3-2-8-14-11/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyOAGQHYIEUPZSFB-DHDCSXOGSA-N
MW243.27 g/mol
LogP1.79
Rot. Bonds4

About 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 136742500) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID136742500
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc[nH]2)cc1
InChIInChI=1S/C13H13N3O2/c1-18-12-6-4-10(5-7-12)13(17)16-15-9-11-3-2-8-14-11/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyOAGQHYIEUPZSFB-DHDCSXOGSA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.79
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

3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 969187
4-hexoxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 4930621
2-(4-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 914097
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237
6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
CID 935068
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135801543
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 136742500) is 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccc[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is OAGQHYIEUPZSFB-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-6-4-10(5-7-12)13(17)16-15-9-11-3-2-8-14-11/h2-9,14H,1H3,(H,16,17)/b15-9-.
What are the key properties of 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 243.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 136742500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).