4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide

C18H13ClFN3O3 — CID 118959157

IUPAC4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)ccn1
InChIInChI=1S/C18H13ClFN3O3/c1-26-15-8-11(5-6-21-15)23-18(25)14-7-10(9-22-14)17(24)16-12(19)3-2-4-13(16)20/h2-9,22H,1H3,(H,21,23,25)
InChIKeyFNRFNHKBARKIMO-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.69
Rot. Bonds5

About 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide

4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 118959157) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID118959157
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)ccn1
InChIInChI=1S/C18H13ClFN3O3/c1-26-15-8-11(5-6-21-15)23-18(25)14-7-10(9-22-14)17(24)16-12(19)3-2-4-13(16)20/h2-9,22H,1H3,(H,21,23,25)
InChIKeyFNRFNHKBARKIMO-UHFFFAOYSA-N
XLogP3.69
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-6-fluorobenzoyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 134610371
4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 118959104
N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 118958964
4-(2-bromo-6-fluorobenzoyl)-N-(6-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 134610622
4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 134610564
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
CID 112739552
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
4-(3,6-dichloro-2-fluorobenzoyl)-N-[6-(oxetan-3-yloxy)-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 118958994
4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide (CID 118959157) is 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide is COc1cc(NC(=O)c2cc(C(=O)c3c(F)cccc3Cl)c[nH]2)ccn1.
What is the InChIKey of 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FNRFNHKBARKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c1-26-15-8-11(5-6-21-15)23-18(25)14-7-10(9-22-14)17(24)16-12(19)3-2-4-13(16)20/h2-9,22H,1H3,(H,21,23,25).
What are the key properties of 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide?
4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 373.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118959157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).