2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide

C13H10ClFN2O2 — CID 13457729

IUPAC2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide
SMILESO=C(CCl)Nn1cccc1C(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O2/c14-8-12(18)16-17-7-3-6-11(17)13(19)9-4-1-2-5-10(9)15/h1-7H,8H2,(H,16,18)
InChIKeyDTIDHOVBLHOKRC-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide

2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide (PubChem CID 13457729) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide
PubChem CID13457729
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide
SMILESO=C(CCl)Nn1cccc1C(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O2/c14-8-12(18)16-17-7-3-6-11(17)13(19)9-4-1-2-5-10(9)15/h1-7H,8H2,(H,16,18)
InChIKeyDTIDHOVBLHOKRC-UHFFFAOYSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide (CID 13457729) is 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide is O=C(CCl)Nn1cccc1C(=O)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide?
The InChIKey is DTIDHOVBLHOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-8-12(18)16-17-7-3-6-11(17)13(19)9-4-1-2-5-10(9)15/h1-7H,8H2,(H,16,18).
What are the key properties of 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide?
2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide has a molecular weight of 280.69 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 13457729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).