N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide

C21H21FN2O2 — CID 18289079

IUPACN-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCCCOc2ccccc2F)cc1-n1cccc1
InChIInChI=1S/C21H21FN2O2/c1-16-9-10-17(15-19(16)24-12-4-5-13-24)21(25)23-11-6-14-26-20-8-3-2-7-18(20)22/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,23,25)
InChIKeyZTNOEKRQDNOUIE-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.12
Rot. Bonds7

About N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide

N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 18289079) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID18289079
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCCCOc2ccccc2F)cc1-n1cccc1
InChIInChI=1S/C21H21FN2O2/c1-16-9-10-17(15-19(16)24-12-4-5-13-24)21(25)23-11-6-14-26-20-8-3-2-7-18(20)22/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,23,25)
InChIKeyZTNOEKRQDNOUIE-UHFFFAOYSA-N
XLogP4.12
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-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

4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 60606761
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide (CID 18289079) is N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NCCCOc2ccccc2F)cc1-n1cccc1.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is ZTNOEKRQDNOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-16-9-10-17(15-19(16)24-12-4-5-13-24)21(25)23-11-6-14-26-20-8-3-2-7-18(20)22/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,23,25).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide?
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 352.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18289079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).