4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C17H13ClFN3O2 — CID 87020258

IUPAC4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C17H13ClFN3O2/c18-12-7-15(20-10-12)17(23)22-9-11-1-6-16(21-8-11)24-14-4-2-13(19)3-5-14/h1-8,10,20H,9H2,(H,22,23)
InChIKeyGQBMMNDKIRPCGJ-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.92
Rot. Bonds5

About 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 87020258) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID87020258
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C17H13ClFN3O2/c18-12-7-15(20-10-12)17(23)22-9-11-1-6-16(21-8-11)24-14-4-2-13(19)3-5-14/h1-8,10,20H,9H2,(H,22,23)
InChIKeyGQBMMNDKIRPCGJ-UHFFFAOYSA-N
XLogP3.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
CID 91651889
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-3-nitrobenzamide
CID 55800772
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
2-(difluoromethylsulfanyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55858888
4-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55713360
1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174271887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 87020258) is 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GQBMMNDKIRPCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-12-7-15(20-10-12)17(23)22-9-11-1-6-16(21-8-11)24-14-4-2-13(19)3-5-14/h1-8,10,20H,9H2,(H,22,23).
What are the key properties of 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 345.76 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 87020258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).