5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide

C16H9Cl4N3O — CID 21444364

IUPAC5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide
SMILESO=C(Nc1ccc2ccc(Cl)nc2n1)c1cc(Cl)ccc1C(Cl)Cl
InChIInChI=1S/C16H9Cl4N3O/c17-9-3-4-10(14(19)20)11(7-9)16(24)23-13-6-2-8-1-5-12(18)21-15(8)22-13/h1-7,14H,(H,21,22,23,24)
InChIKeyLAYIMFGYTYIXPS-UHFFFAOYSA-N
MW401.08 g/mol
LogP5.67
Rot. Bonds3

About 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide

5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide (PubChem CID 21444364) has the molecular formula C16H9Cl4N3O and a molecular weight of 401.08 g/mol. Its IUPAC name is 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide
PubChem CID21444364
Molecular FormulaC16H9Cl4N3O
Molecular Weight401.08 g/mol
Exact Mass398.95
IUPAC Name5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide
SMILESO=C(Nc1ccc2ccc(Cl)nc2n1)c1cc(Cl)ccc1C(Cl)Cl
InChIInChI=1S/C16H9Cl4N3O/c17-9-3-4-10(14(19)20)11(7-9)16(24)23-13-6-2-8-1-5-12(18)21-15(8)22-13/h1-7,14H,(H,21,22,23,24)
InChIKeyLAYIMFGYTYIXPS-UHFFFAOYSA-N
XLogP5.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.08
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
CID 154873489
N-(7-chloro-1,8-naphthyridin-2-yl)butanamide
CID 102404571
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 113227258
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide?
The IUPAC name of 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide (CID 21444364) is 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide.
What is the SMILES notation for 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide?
The canonical SMILES for 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide is O=C(Nc1ccc2ccc(Cl)nc2n1)c1cc(Cl)ccc1C(Cl)Cl.
What is the InChIKey of 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide?
The InChIKey is LAYIMFGYTYIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl4N3O/c17-9-3-4-10(14(19)20)11(7-9)16(24)23-13-6-2-8-1-5-12(18)21-15(8)22-13/h1-7,14H,(H,21,22,23,24).
What are the key properties of 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide?
5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide has a molecular weight of 401.08 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-chloro-1,8-naphthyridin-2-yl)-2-(dichloromethyl)benzamide is sourced from PubChem (CID 21444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).