N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide

C20H19FN2O2 — CID 110795185

IUPACN-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(F)cc1CCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H19FN2O2/c1-25-19-9-6-17(21)14-16(19)10-11-22-20(24)15-4-7-18(8-5-15)23-12-2-3-13-23/h2-9,12-14H,10-11H2,1H3,(H,22,24)
InChIKeyDBIAYXZFTIKTLP-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110795185) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID110795185
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(F)cc1CCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H19FN2O2/c1-25-19-9-6-17(21)14-16(19)10-11-22-20(24)15-4-7-18(8-5-15)23-12-2-3-13-23/h2-9,12-14H,10-11H2,1H3,(H,22,24)
InChIKeyDBIAYXZFTIKTLP-UHFFFAOYSA-N
XLogP3.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide 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

2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538081
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 110795180
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31533502
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide (CID 110795185) is N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide is COc1ccc(F)cc1CCNC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is DBIAYXZFTIKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-25-19-9-6-17(21)14-16(19)10-11-22-20(24)15-4-7-18(8-5-15)23-12-2-3-13-23/h2-9,12-14H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 338.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110795185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).