2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

C15H13ClF2N2O2 — CID 52658974

IUPAC2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1=O
InChIInChI=1S/C15H13ClF2N2O2/c1-2-5-20-8-9(3-4-14(20)21)19-15(22)10-6-12(17)13(18)7-11(10)16/h3-4,6-8H,2,5H2,1H3,(H,19,22)
InChIKeyRSTIVIHLASUKFJ-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (PubChem CID 52658974) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
PubChem CID52658974
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1=O
InChIInChI=1S/C15H13ClF2N2O2/c1-2-5-20-8-9(3-4-14(20)21)19-15(22)10-6-12(17)13(18)7-11(10)16/h3-4,6-8H,2,5H2,1H3,(H,19,22)
InChIKeyRSTIVIHLASUKFJ-UHFFFAOYSA-N
XLogP3.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-3-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 51096607
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 80973094
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
6-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 63973346
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (CID 52658974) is 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is CCCn1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1=O.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The InChIKey is RSTIVIHLASUKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c1-2-5-20-8-9(3-4-14(20)21)19-15(22)10-6-12(17)13(18)7-11(10)16/h3-4,6-8H,2,5H2,1H3,(H,19,22).
What are the key properties of 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide has a molecular weight of 326.73 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is sourced from PubChem (CID 52658974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).