4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide

C21H19ClFN3O2 — CID 123950266

IUPAC4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(F)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)nc2N(C)C)c1
InChIInChI=1S/C21H19ClFN3O2/c1-26(2)20-16(17-12-15(28-3)8-10-18(17)23)9-11-19(24-20)25-21(27)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,25,27)
InChIKeyMNBOTYCLNMBUKG-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.87
Rot. Bonds5

About 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide

4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide (PubChem CID 123950266) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide
PubChem CID123950266
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(F)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)nc2N(C)C)c1
InChIInChI=1S/C21H19ClFN3O2/c1-26(2)20-16(17-12-15(28-3)8-10-18(17)23)9-11-19(24-20)25-21(27)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,25,27)
InChIKeyMNBOTYCLNMBUKG-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide (CID 123950266) is 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide is COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)nc2N(C)C)c1.
What is the InChIKey of 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide?
The InChIKey is MNBOTYCLNMBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-26(2)20-16(17-12-15(28-3)8-10-18(17)23)9-11-19(24-20)25-21(27)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,25,27).
What are the key properties of 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide?
4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide has a molecular weight of 399.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(dimethylamino)-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 123950266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).