N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide

C19H17FN2O2 — CID 71882893

IUPACN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc[nH]2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-13-11-14(12-22-19(23)17-3-2-10-21-17)4-9-18(13)24-16-7-5-15(20)6-8-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyCCMYOGCFBSOMNS-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.18
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide

N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 71882893) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID71882893
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc[nH]2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-13-11-14(12-22-19(23)17-3-2-10-21-17)4-9-18(13)24-16-7-5-15(20)6-8-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyCCMYOGCFBSOMNS-UHFFFAOYSA-N
XLogP4.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide (CID 71882893) is N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide is Cc1cc(CNC(=O)c2ccc[nH]2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CCMYOGCFBSOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-13-11-14(12-22-19(23)17-3-2-10-21-17)4-9-18(13)24-16-7-5-15(20)6-8-16/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide?
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71882893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).