2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide

C17H10ClF2NO — CID 803729

IUPAC2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H10ClF2NO/c18-14-9-16(20)15(19)8-13(14)17(22)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22)
InChIKeyLMULZKVWTMMULM-UHFFFAOYSA-N
MW317.72 g/mol
LogP5.02
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide

2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide (PubChem CID 803729) has the molecular formula C17H10ClF2NO and a molecular weight of 317.72 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide
PubChem CID803729
Molecular FormulaC17H10ClF2NO
Molecular Weight317.72 g/mol
Exact Mass317.04
IUPAC Name2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H10ClF2NO/c18-14-9-16(20)15(19)8-13(14)17(22)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22)
InChIKeyLMULZKVWTMMULM-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.72
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide (CID 803729) is 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide is O=C(Nc1ccc2ccccc2c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide?
The InChIKey is LMULZKVWTMMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO/c18-14-9-16(20)15(19)8-13(14)17(22)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22).
What are the key properties of 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide?
2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide has a molecular weight of 317.72 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 803729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).