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

C19H23FN2O2 — CID 147792016

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCOC2)Cc2ccccc2F)=C1
InChIInChI=1S/C19H23FN2O2/c1-14-10-17(11-21-14)19(23)22(8-6-15-7-9-24-13-15)12-16-4-2-3-5-18(16)20/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeyHJUZUDZYYIJKIL-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.98
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide (PubChem CID 147792016) 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-3-yl)ethyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide
PubChem CID147792016
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCOC2)Cc2ccccc2F)=C1
InChIInChI=1S/C19H23FN2O2/c1-14-10-17(11-21-14)19(23)22(8-6-15-7-9-24-13-15)12-16-4-2-3-5-18(16)20/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeyHJUZUDZYYIJKIL-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
CID 146761822
N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-2-yl)ethyl]-2H-pyrrole-3-carboxamide
CID 147021753
N-[(3,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
CID 147125424
N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrrole-3-carboxamide
CID 147133701
N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide
CID 148120928
4-amino-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-imino-N-[2-(oxolan-3-yl)ethyl]pent-3-enamide
CID 148750970
N-[(2-fluorophenyl)methyl]-5-methyl-N-(oxan-4-ylmethyl)-2H-pyrrole-3-carboxamide
CID 149240267
N-[(2-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
CID 152893370
N-(2-cyclopentyloxyethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrrole-3-carboxamide
CID 153041885
N-[(2,6-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
CID 157451516
N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
CID 159605673
[(Z)-4-amino-1,1,1-trifluoro-5-[(2-fluorophenyl)methyl-[2-(oxolan-3-yl)ethyl]amino]-5-oxopent-3-en-2-ylidene]azanium
CID 163832316

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide (CID 147792016) is N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide is CC1=NCC(C(=O)N(CCC2CCOC2)Cc2ccccc2F)=C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide?
The InChIKey is HJUZUDZYYIJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-10-17(11-21-14)19(23)22(8-6-15-7-9-24-13-15)12-16-4-2-3-5-18(16)20/h2-5,10,15H,6-9,11-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-2H-pyrrole-3-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 2.98, 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-3-yl)ethyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 147792016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).