4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide

C17H11ClFN3O2 — CID 118959089

IUPAC4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C17H11ClFN3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24)
InChIKeyFAOLFNHMPIRTRJ-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.69
Rot. Bonds4

About 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide

4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 118959089) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID118959089
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C17H11ClFN3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24)
InChIKeyFAOLFNHMPIRTRJ-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (CID 118959089) is 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is O=C(Nc1ccncc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1.
What is the InChIKey of 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is FAOLFNHMPIRTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24).
What are the key properties of 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 343.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118959089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).