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

C19H23FN2O2 — CID 147021753

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCCO2)Cc2ccccc2F)=C1
InChIInChI=1S/C19H23FN2O2/c1-14-11-16(12-21-14)19(23)22(9-8-17-6-4-10-24-17)13-15-5-2-3-7-18(15)20/h2-3,5,7,11,17H,4,6,8-10,12-13H2,1H3
InChIKeyAVVQIGQVBALJOO-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.12
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide (PubChem CID 147021753) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide
PubChem CID147021753
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCCO2)Cc2ccccc2F)=C1
InChIInChI=1S/C19H23FN2O2/c1-14-11-16(12-21-14)19(23)22(9-8-17-6-4-10-24-17)13-15-5-2-3-7-18(15)20/h2-3,5,7,11,17H,4,6,8-10,12-13H2,1H3
InChIKeyAVVQIGQVBALJOO-UHFFFAOYSA-N
XLogP3.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide (CID 147021753) is N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide is CC1=NCC(C(=O)N(CCC2CCCO2)Cc2ccccc2F)=C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide?
The InChIKey is AVVQIGQVBALJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-11-16(12-21-14)19(23)22(9-8-17-6-4-10-24-17)13-15-5-2-3-7-18(15)20/h2-3,5,7,11,17H,4,6,8-10,12-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.12, 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-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 147021753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).