4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide

C16H15Cl3N2O2 — CID 3563809

IUPAC4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILESO=C(CCCCl)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C16H15Cl3N2O2/c17-8-2-7-15(22)20-14-6-3-9-21(16(14)23)10-11-12(18)4-1-5-13(11)19/h1,3-6,9H,2,7-8,10H2,(H,20,22)
InChIKeyQLQGKXXJWSSGSU-UHFFFAOYSA-N
MW373.67 g/mol
LogP4.16
Rot. Bonds6

About 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide

4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide (PubChem CID 3563809) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
PubChem CID3563809
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC Name4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILESO=C(CCCCl)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C16H15Cl3N2O2/c17-8-2-7-15(22)20-14-6-3-9-21(16(14)23)10-11-12(18)4-1-5-13(11)19/h1,3-6,9H,2,7-8,10H2,(H,20,22)
InChIKeyQLQGKXXJWSSGSU-UHFFFAOYSA-N
XLogP4.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.67
LogP ≤ 54.16
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 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The IUPAC name of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide (CID 3563809) is 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The canonical SMILES for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide is O=C(CCCCl)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The InChIKey is QLQGKXXJWSSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c17-8-2-7-15(22)20-14-6-3-9-21(16(14)23)10-11-12(18)4-1-5-13(11)19/h1,3-6,9H,2,7-8,10H2,(H,20,22).
What are the key properties of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide has a molecular weight of 373.67 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]butanamide is sourced from PubChem (CID 3563809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).