4-chloro-N-naphthalen-1-ylbenzamide

C17H12ClNO — CID 532197

IUPAC4-chloro-N-naphthalen-1-ylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20)
InChIKeyIQWRPJFSMOZFIL-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.75
Rot. Bonds2

About 4-chloro-N-naphthalen-1-ylbenzamide

4-chloro-N-naphthalen-1-ylbenzamide (PubChem CID 532197) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-naphthalen-1-ylbenzamide
PubChem CID532197
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name4-chloro-N-naphthalen-1-ylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20)
InChIKeyIQWRPJFSMOZFIL-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-chloro-N-naphthalen-1-ylbenzamide (CID 532197) is 4-chloro-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-chloro-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-chloro-N-naphthalen-1-ylbenzamide is O=C(Nc1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-naphthalen-1-ylbenzamide?
The InChIKey is IQWRPJFSMOZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20).
What are the key properties of 4-chloro-N-naphthalen-1-ylbenzamide?
4-chloro-N-naphthalen-1-ylbenzamide has a molecular weight of 281.74 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 532197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).