N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide

C20H25FN2O2 — CID 153041885

IUPACN-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCOC2CCCC2)Cc2ccccc2F)=C1
InChIInChI=1S/C20H25FN2O2/c1-15-12-17(13-22-15)20(24)23(10-11-25-18-7-3-4-8-18)14-16-6-2-5-9-19(16)21/h2,5-6,9,12,18H,3-4,7-8,10-11,13-14H2,1H3
InChIKeyVFVWEEJPKDHBEM-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.51
Rot. Bonds7

About N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide

N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide (PubChem CID 153041885) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide
PubChem CID153041885
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCOC2CCCC2)Cc2ccccc2F)=C1
InChIInChI=1S/C20H25FN2O2/c1-15-12-17(13-22-15)20(24)23(10-11-25-18-7-3-4-8-18)14-16-6-2-5-9-19(16)21/h2,5-6,9,12,18H,3-4,7-8,10-11,13-14H2,1H3
InChIKeyVFVWEEJPKDHBEM-UHFFFAOYSA-N
XLogP3.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide (CID 153041885) is N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide is CC1=NCC(C(=O)N(CCOC2CCCC2)Cc2ccccc2F)=C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide?
The InChIKey is VFVWEEJPKDHBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-15-12-17(13-22-15)20(24)23(10-11-25-18-7-3-4-8-18)14-16-6-2-5-9-19(16)21/h2,5-6,9,12,18H,3-4,7-8,10-11,13-14H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide?
N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 153041885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).