2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide

C21H21N3O3 — CID 108538081

IUPAC2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-19-7-3-2-6-18(19)21(26)23-13-12-22-20(25)16-8-10-17(11-9-16)24-14-4-5-15-24/h2-11,14-15H,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyCDSIRYRSFVDEOD-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.65
Rot. Bonds7

About 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide

2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 108538081) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
PubChem CID108538081
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-19-7-3-2-6-18(19)21(26)23-13-12-22-20(25)16-8-10-17(11-9-16)24-14-4-5-15-24/h2-11,14-15H,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyCDSIRYRSFVDEOD-UHFFFAOYSA-N
XLogP2.65
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
CID 110441001
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide (CID 108538081) is 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide is COc1ccccc1C(=O)NCCNC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is CDSIRYRSFVDEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-19-7-3-2-6-18(19)21(26)23-13-12-22-20(25)16-8-10-17(11-9-16)24-14-4-5-15-24/h2-11,14-15H,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108538081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).