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

C13H13N3O2 — CID 137054719

IUPAC3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESCOc1cccc(C(=O)N/N=C\c2ccc[nH]2)c1
InChIInChI=1S/C13H13N3O2/c1-18-12-6-2-4-10(8-12)13(17)16-15-9-11-5-3-7-14-11/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyOYGDVHDUIPDESR-DHDCSXOGSA-N
MW243.27 g/mol
LogP1.79
Rot. Bonds4

About 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 137054719) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID137054719
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESCOc1cccc(C(=O)N/N=C\c2ccc[nH]2)c1
InChIInChI=1S/C13H13N3O2/c1-18-12-6-2-4-10(8-12)13(17)16-15-9-11-5-3-7-14-11/h2-9,14H,1H3,(H,16,17)/b15-9-
InChIKeyOYGDVHDUIPDESR-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

4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500
3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135801543
3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135645943
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 137054719) is 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is COc1cccc(C(=O)N/N=C\c2ccc[nH]2)c1.
What is the InChIKey of 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is OYGDVHDUIPDESR-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-6-2-4-10(8-12)13(17)16-15-9-11-5-3-7-14-11/h2-9,14H,1H3,(H,16,17)/b15-9-.
What are the key properties of 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
3-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 3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 137054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).