N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide

C20H25FN2O2 — CID 147133701

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCOCC2)Cc2ccccc2F)=C1
InChIInChI=1S/C20H25FN2O2/c1-15-12-18(13-22-15)20(24)23(9-6-16-7-10-25-11-8-16)14-17-4-2-3-5-19(17)21/h2-5,12,16H,6-11,13-14H2,1H3
InChIKeyBQSRVTSDPXZYDL-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide

N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide (PubChem CID 147133701) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide
PubChem CID147133701
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCOCC2)Cc2ccccc2F)=C1
InChIInChI=1S/C20H25FN2O2/c1-15-12-18(13-22-15)20(24)23(9-6-16-7-10-25-11-8-16)14-17-4-2-3-5-19(17)21/h2-5,12,16H,6-11,13-14H2,1H3
InChIKeyBQSRVTSDPXZYDL-UHFFFAOYSA-N
XLogP3.37
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide (CID 147133701) is N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide is CC1=NCC(C(=O)N(CCC2CCOCC2)Cc2ccccc2F)=C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
The InChIKey is BQSRVTSDPXZYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-15-12-18(13-22-15)20(24)23(9-6-16-7-10-25-11-8-16)14-17-4-2-3-5-19(17)21/h2-5,12,16H,6-11,13-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 147133701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).