1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide

C26H23FN2O2 — CID 69085086

IUPAC1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide
SMILESCCc1ccccc1-n1cccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C26H23FN2O2/c1-2-20-6-3-4-7-24(20)29-17-5-8-25(29)26(30)28-18-19-9-13-22(14-10-19)31-23-15-11-21(27)12-16-23/h3-17H,2,18H2,1H3,(H,28,30)
InChIKeyRADPNXYFVVQRSI-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.90
Rot. Bonds7

About 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide

1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 69085086) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID69085086
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide
SMILESCCc1ccccc1-n1cccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C26H23FN2O2/c1-2-20-6-3-4-7-24(20)29-17-5-8-25(29)26(30)28-18-19-9-13-22(14-10-19)31-23-15-11-21(27)12-16-23/h3-17H,2,18H2,1H3,(H,28,30)
InChIKeyRADPNXYFVVQRSI-UHFFFAOYSA-N
XLogP5.90
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]methylcarbamic acid
CID 69086319
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
CID 69083143
1-ethyl-N-[(4-fluorophenyl)methyl]-6-oxopyridine-2-carboxamide
CID 158947897
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
3-cyano-N-[(4-fluorophenyl)methyl]-1-(2-phenoxyphenyl)pyrrole-2-carboxamide
CID 4666115
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
CID 78915403
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide (CID 69085086) is 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide is CCc1ccccc1-n1cccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is RADPNXYFVVQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-2-20-6-3-4-7-24(20)29-17-5-8-25(29)26(30)28-18-19-9-13-22(14-10-19)31-23-15-11-21(27)12-16-23/h3-17H,2,18H2,1H3,(H,28,30).
What are the key properties of 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide?
1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 69085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).