4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide

C23H17ClN2O2 — CID 59673439

IUPAC4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1-c1ncccc1Cl
InChIInChI=1S/C23H17ClN2O2/c1-28-21-14-17(9-11-19(21)22-20(24)7-4-12-25-22)23(27)26-18-10-8-15-5-2-3-6-16(15)13-18/h2-14H,1H3,(H,26,27)
InChIKeyKSJOXCHZTNKYLE-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.82
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide

4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide (PubChem CID 59673439) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
PubChem CID59673439
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1-c1ncccc1Cl
InChIInChI=1S/C23H17ClN2O2/c1-28-21-14-17(9-11-19(21)22-20(24)7-4-12-25-22)23(27)26-18-10-8-15-5-2-3-6-16(15)13-18/h2-14H,1H3,(H,26,27)
InChIKeyKSJOXCHZTNKYLE-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide (CID 59673439) is 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide is COc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1-c1ncccc1Cl.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide?
The InChIKey is KSJOXCHZTNKYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-28-21-14-17(9-11-19(21)22-20(24)7-4-12-25-22)23(27)26-18-10-8-15-5-2-3-6-16(15)13-18/h2-14H,1H3,(H,26,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide?
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide has a molecular weight of 388.85 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 59673439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).